Molecule Details

Molecular Properties
SMILES:
CC(C)N(C)c1ncnc2c1cnn2C
MW: 205.265
Fraction sp3: 0.5
HBA: 5
HBD: 0
Rotatable Bonds: 2
TPSA: 46.84
cLogP: 1.2079
Covalent Warhead:
Covalent Fragment:
Source
Enamine BB: FCH7487083
Enamine SCR: Z328695024
Enamine REAL: Z328695024
Enamine Extended REAL: s_27____517228____216717
Mcule: MCULE-9886284668
MolPort: MolPort-019-649-102
CN(c1nccnc1C#N)S(C)(=O)=O

DRV-UNK-7620afc8-1
0.188

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Cc1c(C2C(CNC(=O)c3cncnc3)CC(=O)N2C)cnn1C

MAR-TRE-e82e6c98-82
0.186

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Cn1ncc2c(=O)[nH]c(CN3CCCC(C(=O)c4ccccn4)C3)nc21

MAR-TRE-c8530538-95
0.180

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Cc1c(CC(NC(=O)c2cncnc2)C(=O)O)cnn1C

MAR-TRE-e82e6c98-100
0.177

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Cn1ncc2c(=O)[nH]c(CCC(=O)Nc3cccnc3)nc21

MAR-TRE-2fd8122f-80
0.176

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CN(c1ccc(C#N)cn1)C1CCN(C(=O)CCl)CC1

VIK-SYN-9a3d118a-8
0.175

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Cn1nccc1C(NC(=O)c1cncnc1)C(=O)O

MAR-TRE-e82e6c98-30
0.173

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Cn1ncc2c1CC(CNC(=O)c1cncnc1)CN2S(C)(=O)=O

MAR-TRE-c317dd82-5
0.170

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Cn1ncc(C#N)c1S(=O)(=O)NC(=O)c1cncnc1

MAR-TRE-be9ff7d2-31
0.169

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Cc1ccc(C)c(N(C)C(=O)Cc2cnn(C)c2C)c1

JAG-UCB-a3ef7265-16
0.169

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Cn1nccc1C(NC(=O)c1cncnc1)C(=O)OC(C)(C)C

MAR-TRE-be9ff7d2-97
0.169

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Cn1nc(Br)c2c(NCCNC(=O)c3cncnc3)ncnc21

MAR-TRE-e82e6c98-92
0.169

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C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F

MAR-TRE-fffca54f-99
0.167

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COCCN(C)CCN1CC(NC(=O)c2cncnc2)CC1=O

MAR-TRE-e82e6c98-96
0.167

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Cn1ncc2c(=O)[nH]c(CN3CCCC(OCc4ccccn4)C3)nc21

MAR-TRE-c8530538-99
0.167

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CN(c1ccc(CNC(=O)c2cncnc2)cc1)S(C)(=O)=O

MAR-TRE-799db12b-35
0.167

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Cc1ccncc1NC(=O)CC(C)C(C)C

MAT-POS-590ac91e-11
0.167

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CN(c1cncnc1)C(CC(=O)O)C(=O)O

MAR-TRE-85681e92-65
0.167

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C[C@H](N)CCC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C

MAR-TRE-67513f76-43
0.165

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Cc1c(C2CNCC2C(=O)NC(=O)c2cncnc2)cnn1C

MAR-TRE-c317dd82-15
0.165

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CCc1cnc(C2(C3CC(F)=CN(CCNC)C3)CC2)s1

DAR-DIA-a80d16a0-8
0.163

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Cn1nccc1C(NC(=O)c1cncnc1)c1ccnn1C

MAR-TRE-be9ff7d2-47
0.162

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CNS(=O)(=O)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1

MAR-TRE-fffca54f-42
0.159

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CC(C)n1ncc2cc(NC(=O)CCc3c[nH]c4ccccc34)cnc21

MAR-TRE-b77b7921-67
0.158

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CC(C)C(NC(=O)c1cncnc1)C(=O)N(C)Cc1nnc2n1CCC2

MAR-TRE-be9ff7d2-26
0.158

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CN1C(=O)CC(CNC(=O)c2cncnc2)C1c1ccnn1C

MAR-TRE-c317dd82-60
0.157

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CC(CCCN(C)CCO)Nc1ncnn2c(Br)ccc12

MAN-SYN-45e45961-1
0.157

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CC(=O)NC(CCCCN)C(=O)N(C)c1cnc(CCl)[nH]1

MAR-TRE-87acfbcc-23
0.155

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CC(=O)NC(CCC(=O)NC(=O)c1cncnc1)C(=O)O

MAR-TRE-e82e6c98-72
0.154

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CC(=O)NC(C(=O)Nc1cncnc1N(C)C)c1cccc(Br)c1

BAR-COM-0f94fc3d-36
0.154

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Cn1cc(C(NC(=O)c2cncnc2)c2ncon2)cn1

MAR-TRE-e82e6c98-31
0.153

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CNCCN1C=C(F)CC(C2(c3ncc(C)s3)CC2)C1

DAR-DIA-a80d16a0-9
0.153

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CN(c1cnc(C#N)[nH]1)c1cccs1

MAK-UNK-7732b35b-32
0.153

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CC(C)CC(NC(=O)c1cnn2ccccc12)c1ncnn1C

MAT-POS-ea426761-29
0.152

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CN1C(=O)COC(CNC(=O)c2cncnc2)C1c1ccnn1C

MAR-TRE-c317dd82-51
0.152

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CC(C)N1CCC(O)(Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2cnn(C)c2)CC1

KUS-THE-322b9b63-13
0.152

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Cn1nccc1C1CNCC1C(=O)NC(=O)c1cncnc1

MAR-TRE-c317dd82-64
0.151

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CC(=O)NC(CC(=O)O)C(=O)NC(=O)c1cncnc1

MAR-TRE-c317dd82-21
0.151

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Cn1c(=O)c2cc(NC(=O)[C@H](N)C3CCOCC3)cnc2n(C)c1=O

MAR-TRE-9c797165-43
0.151

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CC(NC(=O)c1cncnc1)c1ccc(S(=O)(=O)N(C)C)cc1

MAR-TRE-66ac689e-3
0.150

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Cn1ccnc1C1CNCC1C(=O)NC(=O)c1cncnc1

MAR-TRE-c317dd82-61
0.149

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Cn1ccnc1-c1ccc(S(N)(=O)=O)cc1

IND-SYN-a2b2ab0e-2
0.149

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Cn1ccnc1-c1ccc(S(N)(=O)=O)cc1

IND-SYN-830dcead-1
0.149

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Cn1ccnc1-c1ccc(S(N)(=O)=O)cc1

IND-SYN-5e5c1c3e-1
0.149

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CC(C)n1ncc2cc(NC(=O)CCCN3C(=O)CN(C)C3=O)cnc21

MAR-TRE-67513f76-78
0.149

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COCCN1C(=O)CC(CNC(=O)c2cncnc2)C1c1cnn(C)c1C

MAR-TRE-e82e6c98-84
0.149

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CC(C)(C)n1ncc2c(=O)n(CCC(=O)Nc3cccnc3)cnc21

MAR-TRE-9c797165-87
0.149

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CC(C(O)c1ccc(O)c(O)c1)n1ccn(C(C)C(O)c2ccc(O)c(O)c2)c1=[Au+]Cl

MAR-TRE-d3c2bf0e-6
0.149

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CC(C)n1ncc2cc(NC(=O)CCCN3C(=O)NC4(CCCC4)C3=O)cnc21

MAR-TRE-4b834d9a-90
0.149

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Cc1cnc2cc(C(=O)N[C@@H](C)C(N)=O)ccn12

RAF-POL-b61b4b25-6
0.148

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CS(=O)(=O)N1CCCC(NC(=O)c2cncnc2)C1

MAR-TRE-be9ff7d2-42
0.148

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CN(N)C(=O)c1nc(F)cnc1O

JAS-UND-c13ee042-5
0.147

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CN(C)CCOCCOc1csc(CCl)n1

MAR-TRE-36bf7dba-3
0.147

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Cn1c(=O)c2cc(NC(=O)CCN)cnc2n(C)c1=O

MAR-TRE-67513f76-67
0.146

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Cc1ccc(S(=O)(=O)N(CC(=O)O)c2cnc(CCl)[nH]2)cc1

MAR-TRE-87acfbcc-77
0.146

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CC(C)n1ncc2cc(NC(=O)[C@H]3CCS(=O)(=O)C3)cnc21

MAR-TRE-3e4e6814-89
0.146

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Cn1c(=O)c2c(ncn2CCO)n(C)c1=O

MAR-TRE-fffca54f-83
0.145

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Cn1c(=O)c2c(ncn2C)n(-c2cncnc2)c1=O

MAR-TRE-85681e92-96
0.145

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CC(C)N(C)CC1CCN(c2ccc(S(N)(=O)=O)cc2)CC1

WAR-XCH-b72a1bbc-48
0.145

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Cc1ncccc1NC(=O)C(C)NC(=O)c1cncnc1

MAR-TRE-be9ff7d2-6
0.145

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CN1CCOC(CNC(=O)c2cncnc2)C1c1ccnn1C

MAR-TRE-e82e6c98-62
0.143

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CC(C)C(=O)N(c1cc(F)c(N2CCN(C(=O)CCl)CC2)c(F)c1)c1ncccn1

NIM-UNI-310206f0-23
0.143

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CNC[C@@H](C)C(=O)Nc1cccnc1-n1cncn1

MAR-TRE-9c797165-34
0.143

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CN(C)c1cccc(S(N)(=O)=O)c1

MAK-UNK-53da93bf-5
0.143

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Cn1cncc1C1CNCC1C(=O)NC(=O)c1cncnc1

MAR-TRE-c317dd82-57
0.143

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CC(C)N(C)C(=O)c1ccc2c(c1)CN(C(=O)CCl)CC2c1c[nH]cn1

SAL-INS-1c7a5a55-3
0.143

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CN(CC(=O)O)CC(=O)Oc1csc(CCl)n1

MAR-TRE-36bf7dba-89
0.143

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Cn1c(=O)c2cc(NC(=O)C3(N)CC3)cnc2n(C)c1=O

MAR-TRE-7f7bb9f0-66
0.143

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CC(NC(=O)c1cncnc1)c1cccc(S(=O)(=O)N(C)C)c1

MAR-TRE-66ac689e-22
0.143

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Cn1ccnc1C(NC(=O)c1cncnc1)c1ccc(F)cc1

MAR-TRE-66ac689e-85
0.143

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CN1C(=O)CC(NC(=O)c2cncnc2)C1c1ccc(F)c(F)c1

MAR-TRE-a9136c7b-2
0.143

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Cn1cnc(NC(=O)NC(Cc2ccc(O)cc2)C(=O)N(CCCBr)CCNS(N)(=O)=O)n1

CHA-KIN-45d1307a-2
0.143

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Cc1cnc2c(-c3cnn(C)c3)c(-c3ccc(F)cc3)nn2c1

ALV-UNI-7ff1a6f9-25
0.143

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Cn1cncc1CC(N)C(=O)Oc1csc(CCl)n1

MAR-TRE-36bf7dba-47
0.143

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CN1CC(NC(=O)c2cncnc2)C(c2cn(C)cn2)C1

MAR-TRE-e82e6c98-28
0.141

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CCn1ncnc1C(C)NC(=O)C(=O)c1cccn1C

MAT-POS-ea426761-28
0.141

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CC(NC(=O)c1cncnc1)c1cnc2n1CCCC2

MAR-TRE-66ac689e-66
0.141

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CC(NC(=O)c1cncnc1)C(=O)N1CCOCC1

MAR-TRE-c317dd82-96
0.141

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CC(=O)N1CCC(S(=O)(=O)NC(=O)c2cncnc2)CC1

MAR-TRE-be9ff7d2-88
0.141

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CC(C(O)c1ccc(O)cc1)n1ccn(C(C)C(O)c2ccc(O)cc2)c1=[Au+]Cl

MAR-TRE-d3c2bf0e-5
0.141

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CC(C)S(=O)(=O)N(c1cc(F)c(N2CCN(C(=O)CCl)CC2)c(F)c1)c1ncccn1

NIM-UNI-310206f0-13
0.140

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CC(C)CC(NC(=O)c1cnn2c1CCCC2)c1ncnn1C

MAT-POS-ea426761-30
0.140

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CC(C(=O)N1CCN(C)CC1)c1c[nH]c2ncccc12

NIC-BIO-174c9b04-1
0.140

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COc1cccc(C(C)S(=O)(=O)NC(=O)c2cncnc2)c1

MAR-TRE-92684b97-29
0.140

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Cn1nc2ccccc2c1S(=O)(=O)NC(=O)c1cncnc1

MAR-TRE-8190bb11-63
0.140

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CN(C)S(=O)(=O)NC(CNC(=O)c1cncnc1)C1CCCC1

MAR-TRE-4f781e27-77
0.140

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Cn1c(=O)n(C)c2cc(S(=O)(=O)NC(=O)c3cncnc3)ccc21

MAR-TRE-a9136c7b-61
0.140

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Cn1nccc1C(NC(=O)c1cncnc1)c1cccnc1

MAR-TRE-a9136c7b-93
0.140

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CC(C(O)c1ccc(O)c(O)c1)n1ccn(C)c1=[Au+]Cl

MAR-TRE-4f39ef4a-14
0.139

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Cc1sc(C(=O)O)cc1S(=O)(=O)NC(=O)c1cncnc1

MAR-TRE-4f781e27-72
0.139

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CC(=O)N(CC(N)=O)c1cnc(CCl)[nH]1

MAR-TRE-87acfbcc-92
0.139

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CC(C)N(C)C1CCN(c2ccc(S(N)(=O)=O)cc2)CC1

WAR-XCH-b6889685-53
0.139

View
CCOC(=O)C(C#N)N(O)c1cncnc1

MAR-TRE-85681e92-35
0.139

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C[C@H](O)Cn1cnc2c1c(=O)n(C)c(=O)n2C

MAR-TRE-fffca54f-62
0.139

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CC(O)C(NC(=O)Cc1cncnc1)N(C)C

MAK-UNK-748f8b7a-12
0.139

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CCC(C)SSc1ncc[nH]1

JOH-UNI-163e1b3e-1
0.138

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CC(O)C(Nc1cncnc1)C(=O)O

MAR-TRE-85681e92-92
0.138

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CN1C(=O)CC(NC(=O)c2cncnc2)C1c1ccc(Cl)c(F)c1

MAR-TRE-a9136c7b-63
0.138

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CSc1cnc(C#N)nc1

MAK-UNK-ed378e62-8
0.138

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CN1C(=O)CC(CNC(=O)c2cncnc2)C1c1ccccc1

MAR-TRE-8190bb11-46
0.138

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CC(C)N(C)C1=NC=NC2=C1C=NN2C

1.000

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CC(C)C(C)N(C)C1=NC=NC2=C1C=NN2C

0.735

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CCC(C)N(C)C1=NC=NC2=C1C=NN2C

0.720

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CC(N(C)C1=NC=NC2=C1C=NN2C)C(C)(C)C

0.706

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C#CC(C)N(C)C1=NC=NC2=C1C=NN2C

0.692

View
C[C@H](CO)N(C)C1=NC=NC2=C1C=NN2C

0.692

View
CC(CO)N(C)C1=C2C=NN(C)C2=NC=N1

0.692

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CC(CN)N(C)C1=NC=NC2=C1C=NN2C

0.692

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CC(C(N)=O)N(C)C1=C2C=NN(C)C2=NC=N1

0.679

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CCCC(C)N(C)C1=NC=NC2=C1C=NN2C

0.679

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CSCC(C)N(C)C1=NC=NC2=C1C=NN2C

0.679

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C[C@@H](C(=O)O)N(C)C1=NC=NC2=C1C=NN2C

0.679

View
CC(C(=O)O)N(C)C1=NC=NC2=C1C=NN2C

0.679

View
CC(CS(C)(=O)=O)N(C)C1=NC=NC2=C1C=NN2C

0.673

View
CC(C1CC1)N(C)C1=NC=NC2=C1C=NN2C

0.667

View
CCS(=O)(=O)CC(C)N(C)C1=NC=NC2=C1C=NN2C

0.661

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CC(CCO)N(C)C1=NC=NC2=C1C=NN2C

0.655

View
CC(N(C)C1=NC=NC2=C1C=NN2C)C1(C)CC1

0.655

View
C[C@@H](C(=O)N(C)C)N(C)C1=C2C=NN(C)C2=NC=N1

0.655

View
COC[C@@H](C)N(C)C1=C2C=NN(C)C2=NC=N1

0.655

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CC(CCN)N(C)C1=NC=NC2=C1C=NN2C

0.655

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CN(C1=NC=NC2=C1C=NN2C)C(C1CC1)C1CC1

0.648

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CC(CC#N)N(C)C1=NC=NC2=C1C=NN2C

0.643

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CCCCC(C)N(C)C1=NC=NC2=C1C=NN2C

0.643

View
CC(CC(N)=O)N(C)C1=C2C=NN(C)C2=NC=N1

0.643

View
CCC(CO)N(C)C1=NC=NC2=C1C=NN2C

0.636

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CC(CS(C)=O)N(C)C1=NC=NC2=C1C=NN2C

0.632

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CNC(=O)[C@H](C)N(C)C1=C2C=NN(C)C2=NC=N1

0.632

View
COC(=O)[C@@H](C)N(C)C1=NC=NC2=C1C=NN2C

0.632

View
COC(=O)[C@H](C)N(C)C1=NC=NC2=C1C=NN2C

0.632

View
COC(=O)C(C)N(C)C1=C2C=NN(C)C2=NC=N1

0.632

View
CC(C1=CC=C(F)C=C1)N(C)C1=NC=NC2=C1C=NN2C

0.627

View
CC(N(C)C1=NC=NC2=C1C=NN2C)C1(S(C)(=O)=O)CC1

0.627

View
CCC(CSC)N(C)C1=NC=NC2=C1C=NN2C

0.625

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CC(O)CN(CC(C)O)C1=NC=NC2=C1C=NN2C

0.623

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CSCCC(C)N(C)C1=NC=NC2=C1C=NN2C

0.621

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CCN(C1=NC=NC2=C1C=NN2C)C(C)C

0.615

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CC(C)CN(CC(C)C)C1=NC=NC2=C1C=NN2C

0.615

View
CC1=CC=C(C(C)N(C)C2=NC=NC3=C2C=NN3C)C=C1

0.610

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CC(C)OC(=O)C(C)N(C)C1=NC=NC2=C1C=NN2C

0.610

View
CC(C)N(CCN(C)C)C1=NC=NC2=C1C=NN2C

0.607

View
CC(C1=CC=CC=C1F)N(C)C1=NC=NC2=C1C=NN2C

0.607

View
CC(C1=CC=CN=C1)N(C)C1=NC=NC2=C1C=NN2C

0.607

View
CC(C1=CC=C(Cl)C=C1)N(C)C1=C2C=NN(C)C2=NC=N1

0.600

View
C[C@@H](C1CCCCC1)N(C)C1=NC=NC2=C1C=NN2C

0.600

View
CC(C1CCCCC1)N(C)C1=NC=NC2=C1C=NN2C

0.600

View
CCCN(C1=NC=NC2=C1C=NN2C)C(C)C

0.600

View
CC(C)CCN(C)C1=NC=NC2=C1C=NN2C

0.600

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CC(C1=CC=CS1)N(C)C1=NC=NC2=C1C=NN2C

0.600

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CC(C1=CC=CC=N1)N(C)C1=NC=NC2=C1C=NN2C

0.600

View
CCSCCC(C)N(C)C1=NC=NC2=C1C=NN2C

0.600

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CCOC(=O)[C@H](C)N(C)C1=NC=NC2=C1C=NN2C

0.600

View
CC(C(=O)OC(C)(C)C)N(C)C1=C2C=NN(C)C2=NC=N1

0.600

View
CCOC(=O)C(C)N(C)C1=NC=NC2=C1C=NN2C

0.600

View
CC(C1=CC=C(F)C(F)=C1)N(C)C1=NC=NC2=C1C=NN2C

0.597

View
CC(C)CN(C)C1=NC=NC2=C1C=NN2C

0.593

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CC1=CC=CC=C1C(C)N(C)C1=C2C=NN(C)C2=NC=N1

0.590

View
CC(C1CCN(C)CC1)N(C)C1=NC=NC2=C1C=NN2C

0.590

View
COC1=CC=C(C(C)N(C)C2=NC=NC3=C2C=NN3C)C=C1

0.590

View
CC(C1=CC=C(Cl)C(Cl)=C1)N(C)C1=NC=NC2=C1C=NN2C

0.590

View
CC(C1=CC=CC=C1Br)N(C)C1=NC=NC2=C1C=NN2C

0.590

View
CC(C(=O)NC(C)(C)C)N(C)C1=NC=NC2=C1C=NN2C

0.590

View
CC(C)N(CCO)C1=NC=NC2=C1C=NN2C

0.589

View
CC(C)N(CCN)C1=NC=NC2=C1C=NN2C

0.589

View
CC(CC1=CC=C(F)C=C1)N(C)C1=C2C=NN(C)C2=NC=N1

0.587

View
CC(C1=CC(F)=CC=C1F)N(C)C1=NC=NC2=C1C=NN2C

0.587

View
CC(C1=CC=C(S(C)(=O)=O)C=C1)N(C)C1=NC=NC2=C1C=NN2C

0.587

View
CC(O)CN(C)C1=NC=NC2=C1C=NN2C

0.582

View
C[C@@H](O)CN(C)C1=NC=NC2=C1C=NN2C

0.582

View
CC1=CC=C(C(C)N(C)C2=NC=NC3=C2C=NN3C)C(C)=C1

0.581

View
CC(C1=CC=C(Cl)C=N1)N(C)C1=NC=NC2=C1C=NN2C

0.581

View
CC1=NOC(C(C)N(C)C2=NC=NC3=C2C=NN3C)=N1

0.581

View
CCCN(C)C1=NC=NC2=C1C=NN2C

0.574

View
CN(C1=NC=NC2=C1C=NN2C)C1CC1

0.574

View
CC(C)CCN(CCC(C)C)C1=NC=NC2=C1C=NN2C

0.571

View
CC(C1=CC=C(C(F)(F)F)C=C1)N(C)C1=NC=NC2=C1C=NN2C

0.571

View
CC(C1CCCO1)N(C)C1=NC=NC2=C1C=NN2C

0.571

View
CC(C1=CC=C(Cl)C=C1Cl)N(C)C1=NC=NC2=C1C=NN2C

0.571

View
CC(O)CCN(C)C1=NC=NC2=C1C=NN2C

0.569

View
CC(CN(C)C1=NC=NC2=C1C=NN2C)C(C)(C)C

0.569

View
CN(C)CCN(C)C1=NC=NC2=C1C=NN2C

0.564

View
CCN(CC(C)C)C1=NC=NC2=C1C=NN2C

0.564

View
CC(C1=CC=CC(Cl)=C1)N(C)C1=NC=NC2=C1C=NN2C

0.562

View
CC(C1=CC=CC(O)=C1)N(C)C1=NC=NC2=C1C=NN2C

0.562

View
CC(C1=CC=C(S(C)=O)C=C1)N(C)C1=NC=NC2=C1C=NN2C

0.562

View
CC(C)CCCN(C)C1=C2C=NN(C)C2=NC=N1

0.559

View
CNCCN(C1=NC=NC2=C1C=NN2C)C(C)C

0.559

View
CCN(CC)C1=NC=NC2=C1C=NN2C

0.558

View
CN(CC(F)F)C1=NC=NC2=C1C=NN2C

0.554

View
COC(C)CN(C)C1=NC=NC2=C1C=NN2C

0.552

View
CCC(C)CN(C)C1=NC=NC2=C1C=NN2C

0.552

View
CC(C)C(N)CCN(C)C1=NC=NC2=C1C=NN2C

0.550

View
CC(C)N(C)C1=NC=NC2=C1C=NN2C(C)(C)C

0.545

View
CC(C1=CC=C(C2=CC=CC=C2)C=C1)N(C)C1=NC=NC2=C1C=NN2C

0.545

View
CN(CC(C)(C)C)C1=NC=NC2=C1C=NN2C

0.545

View
CC(CSC1=CC=CC=C1)N(C)C1=NC=NC2=C1C=NN2C

0.545

View
CCC(CC1=CC=CC=C1)N(C)C1=NC=NC2=C1C=NN2C

0.538

View
CC(C#N)CN(C)C1=NC=NC2=C1C=NN2C

0.533

View
CC(C)N(C)C1=NC=NC2=C1C=NN2C1=CC=CC=C1

0.508

View
CC1=NC2=C(C=NN2C)C(N(C)C(C)C)=N1

0.464

View
CC(C)N(C)c1ncnc2n(C)ncc12

1.000

View
CC(N(C)c1ncnc2n(C)ncc12)C(C)(C)C

0.706

View
COCC(C)N(C)c1ncnc2n(C)ncc12

0.655

View
CN(C)c1ncnc2n(C)ncc12

0.652

View
CN(C(C1CC1)C1CC1)c1ncnc2n(C)ncc12

0.648

View
CC(N(C)c1ncnc2n(C)ncc12)c1ccccc1

0.621

View
CC(O)CN(C)c1ncnc2n(C)ncc12

0.582

View
CN(CCO)c1ncnc2n(C)ncc12

0.564

View
CCN(CC(C)O)c1ncnc2n(C)ncc12

0.561

View
CCN(CC)c1ncnc2n(C)ncc12

0.558

View
CCCN(CCC)c1ncnc2n(C)ncc12

0.556

View
Cn1ncc2c(ncnc12)N(CCO)CCO

0.545

View
CN(C1CCCC1)c1ncnc2n(C)ncc12

0.534

View
COCCN(C)c1ncnc2n(C)ncc12

0.534

View
CC(CN(C)c1ncnc2n(C)ncc12)C#N

0.533

View
CCN(CCO)c1ncnc2n(C)ncc12

0.526

View
CC(C)N1CCC(CC1)N(C)c1ncnc2n(C)ncc12

0.525

View
COCCN(CCOC)c1ncnc2n(C)ncc12

0.517

View
CC(C)CN(C1CC1)c1ncnc2n(C)ncc12

0.517

View
CN(C1CCCCC1)c1ncnc2n(C)ncc12

0.517

View
CN(C1CCCCCC1)c1ncnc2n(C)ncc12

0.517

View
CC1CCC(CC1)N(C)c1ncnc2n(C)ncc12

0.517

View
CN(CC1CC1)c1ncnc2n(C)ncc12

0.508

View
CN(CC(N)=O)c1ncnc2n(C)ncc12

0.508

View
CC(C)N(CCOCCO)c1ncnc2n(C)ncc12

0.508

View
CC(C)N(Cc1ccccc1)c1ncnc2n(C)ncc12

0.500

View
CCN(CC(C)(C)C)c1ncnc2n(C)ncc12

0.492

View
CCN1CCC(CC1)N(C)c1ncnc2n(C)ncc12

0.484

View
CCN(CC(C)=C)c1ncnc2n(C)ncc12

0.475

View
Cn1ncc2c(ncnc12)N(CCO)C1CCCC1

0.469

View
CCN(CCN(C)CC=C)c1ncnc2n(C)ncc12

0.463

View
CC1CCCCC1N(C)c1ncnc2n(C)ncc12

0.462

View
CN(C1CCCC1C(C)(C)C)c1ncnc2n(C)ncc12

0.455

View
CCN(C1CCCCC1)c1ncnc2n(C)ncc12

0.453

View
CC(C)Nc1ncnc2n(C)ncc12

0.421

View
CC(C)N(C)C1CCN(CC1)c1ncnc2n(C)ncc12

0.403

View
CC(C)CNc1ncnc2n(C)ncc12

0.393

View
CC(O)CNc1ncnc2n(C)ncc12

0.381

View
CC(C)CCNc1ncnc2n(C)ncc12

0.375

View
Cn1ncc2c(NC(C)(C)C)ncnc12

0.373

View
CCNc1ncnc2n(C)ncc12

0.373

View
CC(C)N1CCN(CC1)c1ncnc2n(C)ncc12

0.369

View
CCC(C)C(C)Nc1ncnc2n(C)ncc12

0.369

View
Cn1ncc2c(NCC=C)ncnc12

0.365

View
CCN(CC)CCNc1ncnc2n(C)ncc12

0.364

View
CN(C)C1CCN(CC1)c1ncnc2n(C)ncc12

0.364

View
CCN(CC)CCCC(C)Nc1ncnc2n(C)ncc12

0.361

View
Cn1ncc2c(ncnc12)N1CCCC1

0.361

View
Cl.Cn1ncc2c(NCC=C)ncnc12

0.359

View
Cn1ncc2c(NC3CC3)ncnc12

0.355

View
Cn1ncc2c(NCCN)ncnc12

0.355

View
CCCNc1ncnc2n(C)ncc12

0.355

View
Cn1ncc2c(NC(C3CC3)C3CC3)ncnc12

0.354

View
CCN(CC)CCCNc1ncnc2n(C)ncc12

0.353

View
CCC(C)(C)Nc1ncnc2n(C)ncc12

0.349

View
CN1CCN(CC1)c1ncnc2n(C)ncc12

0.349

View
Cn1ncc2c(ncnc12)N1CCCCC1

0.349

View
Cn1ncc2c(NCCO)ncnc12

0.349

View
Cn1ncc2c(ncnc12)N1CCCCCC1

0.349

View
CCC(CC(F)(F)F)Nc1ncnc2n(C)ncc12

0.348

View
CC(C)CN1CCN(CC1)c1ncnc2n(C)ncc12

0.348

View
Cn1ncc2c(NC(C)(C)CO)ncnc12

0.344

View
Cn1ncc2c(ncnc12)N1CCNCC1

0.344

View
CCC(CC)N(C)c1nc(C)nc2n(C)ncc12

0.344

View
CCCCNc1ncnc2n(C)ncc12

0.344

View
Cn1ncc2c(ncnc12)N1CCCCCCC1

0.344

View
CC(C)C1CCCN1c1ncnc2n(C)ncc12

0.343

View
Cn1ncc2c(NC3CCCC3)ncnc12

0.338

View
Cn1ncc2c(ncnc12)N1CCOCC1

0.338

View
Cn1ncc2c(NCCCO)ncnc12

0.338

View
Cn1ncc2c(ncnc12)N1CCSCC1

0.338

View
COCCNc1ncnc2n(C)ncc12

0.338

View
CC(C)N1CCC(CC1)Nc1ncnc2n(C)ncc12

0.338

View
CC1CCN(CC1)c1ncnc2n(C)ncc12

0.333

View
Cn1ncc2c(NC(CO)CC(C)(C)C)ncnc12

0.329

View
CCN1CCN(CC1)c1ncnc2n(C)ncc12

0.328

View
Cn1ncc2c(NC3(C)CC=CC3)ncnc12 |c:10|

0.328

View
Cn1ncc2c(NC3CCCCC3)ncnc12

0.328

View
Cn1ncc2c(NC3CCCCCC3)ncnc12

0.328

View
Cn1ncc2c(ncnc12)N1CCN(CC1)C=O

0.328

View
CCCCN1CCN(CC1)c1ncnc2n(C)ncc12

0.324

View
CCN(C)c1nc(C)nc2n(C)ncc12

0.323

View
CC1CCCCN1c1ncnc2n(C)ncc12

0.319

View
CCC1(CCCC1)Nc1ncnc2n(C)ncc12

0.319

View
Cn1ncc2c(ncnc12)N1CCN(CC1)C1CC1

0.319

View
Cn1ncc2c(ncnc12)N1CCN(CCO)CC1

0.314

View
Cn1ncc2c(ncnc12)N1CCN(CC1)c1ncccn1

0.314

View
Cl.Cl.Cn1ncc2c(ncnc12)N1CCCCC1CN

0.311

View
CC1COCCN1c1ncnc2n(C)ncc12

0.310

View
Cn1ncc2c(ncnc12)N1CCCC1C1CC1

0.310

View
CCC1CCCCN1c1ncnc2n(C)ncc12

0.306

View
Cn1ncc2c(ncnc12)N1CCN(CC#N)CC1

0.306

View
Cn1ncc2c(ncnc12)N1CCN(CC1)c1ccncc1

0.306

View
CC1CCCC(C1)Nc1ncnc2n(C)ncc12

0.306

View
CCN1CCC(CC1)Nc1ncnc2n(C)ncc12

0.301

View
Cn1ncc2c(ncnc12)N1CCCC1CO

0.301

View
Cn1ncc2c(ncnc12)N1CCCC1CC(C)(C)C

0.297

View
CC1CC(CC(C)(C)C1)Nc1ncnc2n(C)ncc12

0.293

View
Cn1ncc2c(ncnc12)N1CCN(CC1)c1ncnc2[nH]ncc12

0.289

View
Cn1ncc2c(ncnc12)N1CCN(CC1)c1cc(NC2CC2)ncn1

0.259

View
C(NC1C2C=NN(C)C=2N=CN=1)(=O)C

0.373

View
C(NC1C2C=NN(C)C=2N=CN=1)(=O)CC

0.338

View
N(CC(C)C)CCN1C2=C(C(N3CCCCC3)=NC=N2)C=N1

0.202

View
N(C(C(C)C)C)CCN1C2=C(C(N3CCCCC3)=NC=N2)C=N1

0.200

View
N(CCC(C)C)CCN1C2=C(C(N3CCCCC3)=NC=N2)C=N1

0.195

View
N(C(CCC)C)CCN1C2=C(C(N3CCCCC3)=NC=N2)C=N1

0.191

View
N(C(CC)CC)CCN1C2=C(C(N3CCCCC3)=NC=N2)C=N1

0.186

View
N(C(CCCC)C)CCN1C2=C(C(N3CCCCC3)=NC=N2)C=N1

0.185

View
N(CC(CCC)C)CCN1C2=C(C(N3CCCCC3)=NC=N2)C=N1

0.185

View
N(CCC(C)(C)C)CCN1C2=C(C(N3CCCCC3)=NC=N2)C=N1

0.182

View
N(CC)CCN1C2=C(C(N3CCCCC3)=NC=N2)C=N1

0.181

View
N(CC(CC)CC)CCN1C2=C(C(N3CCCCC3)=NC=N2)C=N1

0.180

View
N(CCC)CCN1C2=C(C(N3CCCCC3)=NC=N2)C=N1

0.176

View
C(NCCN1C2=C(C(N3CCCCC3)=NC=N2)C=N1)(=O)C

0.174

View
N(CC(C)(C)C)CCN1C2=C(C(N3CCCCC3)=NC=N2)C=N1

0.172

View
N(CC(C)=C)CCN1C2=C(C(N3CCCCC3)=NC=N2)C=N1

0.169

View
C(NCCN1C2=C(C(N3CCCCC3)=NC=N2)C=N1)(=O)CC

0.169

View
N(CCCCC)CCN1C2=C(C(N3CCCCC3)=NC=N2)C=N1

0.167

View
N(C1CCC1)CCN1C2=C(C(N3CCCCC3)=NC=N2)C=N1

0.163

View
N(CC1CC1)CCN1C2=C(C(N3CCCCC3)=NC=N2)C=N1

0.159

View


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