Molecule Details

MAK-UNK-7732b35b-15 View Submission
N#Cc1nccn1-c1cccs1
Molecular Properties
SMILES:
N#Cc1nccn1-c1cccs1
MW: 175.02
Fraction sp3: 0.0
HBA: 4
HBD: 0
Rotatable Bonds: 1
TPSA: 41.61
cLogP: 1.81
Covalent Warhead: ✗
Covalent Fragment: ✔️
Source
Enamine BB: BBV-94974082

CC(=O)N1CCN(C(=O)CCl)CC1

AAR-POS-0daf6b7e-21

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N#Cc1nccn1-c1ccsc1

MAK-UNK-7732b35b-17
0.423

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N#Cc1ncc(Nc2cccs2)cn1

MAK-UNK-ed378e62-34
0.276

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N#Cc1ncc(-c2cccs2)cn1

MAK-UNK-ed378e62-26
0.273

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N#Cc1ncc(Sc2cccs2)cn1

MAK-UNK-ed378e62-32
0.271

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N#Cc1nccc(-c2cccs2)n1

MAK-UNK-ed378e62-17
0.271

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N#Cc1nccn1CCc1cccc(Cl)c1

AAR-RCN-28a8122f-1
0.265

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N#Cc1ncc(-c2cccs2)[nH]1

MAK-UNK-7732b35b-14
0.259

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N#Cc1ncc(Sc2cccs2)[nH]1

MAK-UNK-7732b35b-28
0.258

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CC(Cn1ccnc1C#N)c1cccc(Cl)c1

AAR-RCN-78cf61f7-1
0.257

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N#Cc1nccn1CCCc1cccc(Cl)c1

AAR-RCN-845f9611-1
0.257

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N#Cc1ncccn1

AAR-POS-f650c5f2-3
0.250

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N#Cc1nccc(Cc2cccs2)n1

MAK-UNK-ed378e62-19
0.250

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N#Cc1nccc(Nc2cccs2)n1

MAK-UNK-ed378e62-21
0.250

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N#Cc1ncc(Cc2cccs2)cn1

MAK-UNK-ed378e62-28
0.250

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N#Cc1ncc(Oc2cccs2)cn1

MAK-UNK-ed378e62-30
0.250

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N#Cc1nccc(Oc2cccs2)n1

MAK-UNK-ed378e62-20
0.250

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CN(c1ccnc(C#N)n1)c1cccs1

MAK-UNK-ed378e62-22
0.246

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N#Cc1ncc(Nc2cccs2)[nH]1

MAK-UNK-7732b35b-24
0.246

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Cn1ccnc1SCC(=O)Nc1sccc1C#N

MAR-TRE-a3327163-61
0.243

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CN(c1cnc(C#N)nc1)c1cccs1

MAK-UNK-ed378e62-36
0.242

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N#Cc1ncc(Oc2cccs2)[nH]1

MAK-UNK-7732b35b-20
0.238

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

MAK-UNK-7732b35b-32
0.234

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N#Cc1cccnc1SCC(=O)Nc1nccs1

MAR-TRE-a3327163-15
0.224

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N#Cc1ccc(-c2cccs2)nc1SCC(=O)Nc1nccs1

MAR-TRE-0fda4e82-63
0.220

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N#Cc1ccsc1NC(=O)CSc1nc[nH]n1

MAR-TRE-a3327163-35
0.213

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Cc1csc(NC(=O)CSc2ncccc2C#N)n1

MAR-TRE-6c5ef77a-14
0.212

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CCc1nnc(NC(=O)CSc2ncccc2C#N)s1

MAR-TRE-6c5ef77a-33
0.210

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Cc1ccncc1-n1ccnc1C

IND-SYN-2c708b29-1
0.207

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N#Cc1cnn(C(=O)c2cccs2)c1C1CC1

LON-WEI-4d77710c-70
0.205

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N#Cc1cnn(C(=O)c2cccs2)c1C1CC1

LON-WEI-5e7d1b3e-70
0.205

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Cc1ccnc(SCC(=O)Nc2sccc2C#N)n1

MAR-TRE-a3327163-20
0.205

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Cc1cnc(NC(=O)CSc2ncccc2C#N)s1

MAR-TRE-6c5ef77a-20
0.200

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N#Cc1cccnc1

MAK-UNK-ca11b4f7-4
0.200

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N#Cc1ncc(Sc2ccsc2)cn1

MAK-UNK-ed378e62-33
0.197

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Cc1cc(C)c(C#N)c(SCC(=O)c2cccs2)n1

MAR-TRE-1c920f6f-53
0.195

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N#Cc1cccnc1NS(=O)(=O)Cc1ccccc1

NAU-LAT-445f63e5-4
0.194

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N#Cc1cccnc1NCc1ccncc1

MAR-TRE-a3327163-73
0.194

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N#Cc1nccc(Oc2ccsc2)n1

MAK-UNK-ed378e62-23
0.194

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N#Cc1ncc(-c2ccsc2)[nH]1

MAK-UNK-7732b35b-18
0.194

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N#Cc1ncc(Nc2ccsc2)cn1

MAK-UNK-ed378e62-35
0.194

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N#Cc1ncc(Oc2ccsc2)cn1

MAK-UNK-ed378e62-31
0.194

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Cl[Au+]=c1n(Cc2ccccn2)ccn1Cc1ccccn1

MAR-TRE-d3c2bf0e-57
0.194

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N#Cc1cccnc1SCC(=O)NC1CCCCC1

MAR-TRE-14ce9fd6-1
0.192

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N#Cc1nccc(Cl)n1

AAR-RCN-37d0aa00-1
0.192

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Cn1cc(C#N)s1

ABI-SAT-95eab675-1
0.191

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N#CC(=O)N1CCN(Cc2cccs2)CC1

MAK-UNK-10dfa458-21
0.191

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N#Cc1ccc(CSc2ncccn2)cc1

MAR-TRE-14ce9fd6-29
0.190

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N#Cc1nccc(-c2ccsc2)n1

MAK-UNK-ed378e62-18
0.190

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N#Cc1ccc(NC(=O)CSc2ccccn2)cc1

MAR-TRE-1c920f6f-75
0.189

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Cc1ccnc(C#N)n1

MAK-UNK-ed378e62-1
0.189

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N#Cc1nccc(O)n1

MAK-UNK-ed378e62-3
0.189

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N#CC(C(=O)Nc1ccccc1)C(=O)c1cccs1

JOH-UNI-c7afdb96-3
0.188

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N#CC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1

MAK-UNK-10dfa458-26
0.188

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CC(=O)c1cc(CSc2nc(-c3cccs3)ccc2C#N)cs1

MAR-TRE-14ce9fd6-83
0.188

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Cc1nnc(NC(=O)CSc2ncccc2C#N)s1

MAR-TRE-6c5ef77a-26
0.188

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CC(Sc1ncccc1C#N)C(=O)Nc1nccs1

MAR-TRE-6c5ef77a-40
0.188

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Cc1nc(C#N)n(C)c1NC(=O)c1cccnc1

DAR-DIA-bd041b9b-26
0.187

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Cn1ccnc1SCC(=O)Nc1ccc(C#N)cc1

MAR-TRE-a3327163-42
0.187

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N#Cc1ncc(-c2ccsc2)cn1

MAK-UNK-ed378e62-27
0.186

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OCC1(c2ccccn2)CCCC1

AAR-POS-0daf6b7e-22
0.186

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COc1ccc(NC(=O)CSc2ncccc2C#N)cc1

MAR-TRE-6c5ef77a-67
0.185

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N#Cc1ncc(Oc2ccsc2)[nH]1

MAK-UNK-7732b35b-21
0.185

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N#Cc1ncc(Sc2ccsc2)[nH]1

MAK-UNK-7732b35b-29
0.185

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N#Cc1ncccc1NC(=O)Cc1cccc(Cl)c1

AGN-NEW-c7b24fe3-4
0.184

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N#Cc1cccnc1SCC(=O)Nc1ccccc1

MAR-TRE-1c920f6f-42
0.184

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N#Cc1nncs1

MAK-UNK-987948f6-14
0.184

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N#Cc1ncc[nH]1

AAR-POS-f650c5f2-2
0.184

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N#Cc1ccccc1OCCCn1ccnc1

MAR-TRE-0fda4e82-99
0.183

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COC(=O)c1ccc(NC(=O)CSc2ncccc2C#N)cc1

MAR-TRE-0fda4e82-76
0.183

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COCCNc1oc(/C=C/c2cccs2)nc1C#N

MAR-TRE-0fda4e82-98
0.183

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Cc1nnc(SCC(=O)Nc2sccc2C#N)s1

MAR-TRE-a3327163-50
0.182

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CCOC(=O)c1sc(NC(=O)CSc2ccccn2)c(C#N)c1C

MAR-TRE-0fda4e82-38
0.182

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CCOc1ccc(NC(=O)CSc2ncccc2C#N)cc1

MAR-TRE-6c5ef77a-64
0.181

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Cc1c(Cl)cccc1NC(=O)CSc1ncccc1C#N

MAR-TRE-0fda4e82-89
0.181

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N#Cc1ncc(Cl)cn1

AAR-RCN-934be69e-1
0.180

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N#Cc1ncc(F)s1

ABI-SAT-aa268ad7-10
0.180

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Cc1cnc(C#N)nc1

MAK-UNK-ed378e62-2
0.180

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N#Cc1c(NC(=O)CSc2ccccn2)sc2c1CCCCC2

MAR-TRE-14ce9fd6-36
0.180

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N#Cc1cccnc1SCC(=O)Nc1ccccc1O

MAR-TRE-1c920f6f-3
0.179

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N#Cc1cccnc1SCC(=O)Nc1ccc(Br)cc1

MAR-TRE-1c920f6f-47
0.179

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N#Cc1ccc(OCCSc2ncccn2)cc1

MAR-TRE-0fda4e82-62
0.179

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CCc1nnc2c(=O)n(CC(=O)NCc3cccs3)c3cccnc3n12

MAR-TRE-d0525fbf-41
0.179

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Cc1c(F)cccc1NC(=O)CSc1ncccc1C#N

MAR-TRE-0fda4e82-90
0.179

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Cc1ccncc1-c1cc(C#N)cn(-c2cccc(Cl)c2)c1=O

ADA-UCB-6c2cb422-6
0.179

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N#Cc1c(NC(=O)CSc2ncccn2)sc2c1CCC2

MAR-TRE-0fda4e82-20
0.179

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N#Cc1cccnc1SCC(=O)Nc1ccc(F)cc1

MAR-TRE-6c5ef77a-66
0.177

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Cc1cc(C(=O)CSc2ncccc2C#N)c(C)n1C

MAR-TRE-6c5ef77a-93
0.177

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N#Cc1nccc(Nc2ccsc2)n1

MAK-UNK-ed378e62-24
0.176

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Cc1cc(Cl)ccc1NC(=O)CSc1ncccc1C#N

MAR-TRE-6c5ef77a-96
0.176

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N#Cc1cccnc1NCc1cccnc1

MAR-TRE-0fda4e82-32
0.176

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N#Cc1cccnc1SCC(=O)Nc1ccc(Br)cc1F

MAR-TRE-1c920f6f-49
0.176

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N#Cc1c(NC(=O)CSc2ncccn2)sc2c1CCCC2

MAR-TRE-1c920f6f-46
0.176

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Cn1c(=O)c(=O)n(CC(=O)NCc2cccs2)c2cccnc21

MAR-TRE-4b834d9a-7
0.176

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CCOC(=O)c1sc(NC(=O)CSc2ncccn2)c(C#N)c1C

MAR-TRE-a3327163-34
0.176

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CNc1ccnc(C#N)n1

MAK-UNK-ed378e62-9
0.175

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N#Cc1ncc(Cc2ccsc2)cn1

MAK-UNK-ed378e62-29
0.175

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CCCOc1ccc(NC(=O)CSc2ncccc2C#N)cc1

MAR-TRE-6c5ef77a-58
0.174

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CCOC(=O)c1ccc(NC(=O)CSc2ncccc2C#N)cc1

MAR-TRE-0fda4e82-72
0.174

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N#Cc1c(NC(=O)CSc2ncccn2)sc2c1CCCCC2

MAR-TRE-1c920f6f-7
0.174

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CCn1c(=O)c(=O)n(CC(=O)NCc2cccs2)c2cccnc21

MAR-TRE-4b834d9a-40
0.174

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Discussion:

Contributor: Maksym Voznyy - Tue, 12 May 2020 11:02:11 +0000