Molecule Details

COc1ccnc(NC(=O)Cc2ccc3ccccc3c2)c1
3-aminopyridine-like Enamine Mcule MolPort Assayed
View on Fragalysis x2581
Molecular Properties
SMILES:
COc1ccnc(NC(=O)Cc2ccc3ccccc3c2)c1
MW: 292.338
Fraction sp3: 0.11
HBA: 3
HBD: 1
Rotatable Bonds: 4
TPSA: 51.22
cLogP: 3.4246
Covalent Warhead:
Covalent Fragment: ✔️
Source
Enamine SCR: Z1535580916
Enamine REAL: Z1535580916
Enamine Extended REAL: s_22____7914310____60794
Mcule: MCULE-3109420961
Mcule Ultimate: LGUXBXKDCLNCEH-UHFFFAOYSA-N
MolPort: MolPort-047-313-019
Activity Data
Average Inhibition @ 20 µM - Fluorescence: 3.4712445
Average Inhibition @ 50 µM - Fluorescence: 6.0932985
Average Inhibition @ 50 µM - RapidFire: 17.05
Relative Solubility @ 20 µM: 0.95
Relative Solubility @ 100 µM: 0.91
Order Status
Ordered: 2020-03-31
Synthesis Location: enamine
Shipped: 2020-04-17
Cc1ccnc(NC(=O)Cc2ccc3ccccc3c2)c1

ALV-UNI-7ff1a6f9-45
0.682

View
O=C(Cc1ccc2ccccc2c1)Nc1cc(C(F)(F)F)ccn1

ALV-UNI-7ff1a6f9-46
0.629

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C=CC(=O)Nc1ccnc(NC(=O)Cc2ccc3ccccc3c2)c1

LON-WEI-af038623-8
0.579

View
Cc1ccnc2[nH]c(Cc3ccc4ccccc4c3)nc12

ALV-UNI-7ff1a6f9-48
0.349

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COc1ccc2cccc(CC(=O)Nc3c(F)ccnc3F)c2c1

BAR-COM-0f94fc3d-39
0.330

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COc1cccc(CC(=O)Nc2cnccc2C)c1

EDJ-MED-e58735b6-1
0.321

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COc1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1

PET-UNK-8df914d1-1
0.319

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COc1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1

EDJ-MED-00c1612e-1
0.319

View
OCc1ccncc1-c1cc(Cc2ccc3ccccc3c2)ccn1

WAR-XCH-b0339bbe-15
0.315

View
O=C(Cc1cccc(Cl)c1)Nc1cnccn1

JAN-GHE-5a013bed-8
0.300

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COc1cc(Cl)cc(CC(=O)Nc2cncc3ccccc23)c1

ALP-POS-3b848b35-1
0.290

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COc1cc(Cl)cc(CC(=O)Nc2cncc3ccccc23)c1

MAT-POS-3b92565d-2
0.290

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c1ccc2cc(Cc3cc(CCc4cn[nH]c4)ccn3)ccc2c1

WAR-XCH-bdd24732-33
0.286

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COc1ccc2cccc(CCNC(C)=O)c2c1

JOH-MSK-ec639444-3
0.284

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O=C(O)[C@H](Cc1ccc(O)cc1)/N=C/c1ccc2ccccc2c1

MAR-TRE-e86a56b5-25
0.281

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COc1cccc(NC(=O)Cc2cccc(CS(N)(=O)=O)c2)c1

CHA-MCP-85291e1d-6
0.281

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C=CC(=O)NC(C(=O)NCc1ccc2ccccc2c1)c1cccnc1

NIM-UNI-bb9030bf-8
0.278

View
COc1cc(NC(=O)Cc2c[nH]c3ncccc23)cc(OC)c1

MAR-TRE-3159af1a-33
0.278

View
Cc1ccncc1NC(=O)Cc1ccc2[nH]ncc2c1

VLA-UCB-00f2c2b3-2
0.275

View
N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc2ccccc2c1

MAR-TRE-e86a56b5-77
0.273

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COC(=O)CC(NC(=O)c1cncnc1)c1ccc2ccccc2c1

MAR-TRE-92684b97-2
0.269

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COc1cc(CCC(=O)Nc2ccc(N)nc2)cc(OC)c1

MAR-TRE-3e4e6814-87
0.267

View
COc1cc(Cl)cc(CC(=O)Nc2cnccc2C)c1

MAT-POS-c9973a83-1
0.267

View
COC(=O)C(NC(=O)c1cncnc1)c1ccc2ccccc2c1

MAR-TRE-9d18ae8c-60
0.264

View
Cc1ccncc1NC(=O)Cc1cccc(OC(F)(F)F)c1

ANN-UNI-98d2bf15-5
0.264

View
Cc1ccnc(C)c1NC(=O)Cc1cccc(Cl)c1

EDJ-MED-49816e9b-2
0.262

View
Cc1ccncc1NC(=O)Cc1ccc2[nH]ccc2c1

VLA-UCB-00f2c2b3-1
0.258

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COc1cccc(NC(=O)Cc2cccc(CCNC(C)=O)c2)c1

CHA-MCP-85291e1d-3
0.258

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NC(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc2ccccc2c1

OLE-CAR-5b17bec5-6
0.258

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COc1ccc(C2CC(c3ccc4ccccc4c3)=NN2C(=O)CCl)cc1

TAT-ENA-80bfd3e5-17
0.258

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COc1ccc(C2CC(c3ccc4ccccc4c3)=NN2C(=O)CCl)cc1

NIM-UNI-13494739-7
0.258

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CC(=O)Nc1ccc(Oc2ncccn2)cc1

AAR-POS-0daf6b7e-33
0.257

View
Cc1ccnnc1NC(=O)Cc1cccc(Cl)c1

EDG-MED-0da5ad92-15
0.256

View
O=C(Cc1cccc(Cl)c1)Nc1cnc2ccccc2c1

ALP-POS-3b848b35-3
0.256

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O=C(Cc1cccc(Cl)c1)Nc1cncc2ccccc12

ADA-UCB-6c2cb422-1
0.256

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COc1ccnc(C(=O)NCCc2nc(C)cc(=O)[nH]2)c1

MAR-TRE-c8530538-52
0.255

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NS(=O)(=O)c1cccc(C2(Cc3ccc4ccccc4c3)CCCCC2)c1

WAR-XCH-b0339bbe-5
0.255

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COc1cccc(C2(C(=O)Nc3ccc(N)nc3)CCCC2)c1

MAR-TRE-f6f5f473-91
0.255

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COc1cc(Cl)cc(CC(=O)Nc2cc(=O)[nH]c3ccccc23)c1

MAT-POS-3b92565d-5
0.255

View
COc1ccc2nccc(C(=O)NN)c2c1

AMD-UAU-3d234461-1
0.253

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Cc1ccnc(N)c1NC(=O)Cc1cccc(Cl)c1

EDG-MED-0da5ad92-18
0.253

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O=C(Cc1cccc(Br)c1)Nc1cncc2ccccc12

PET-UNK-c9c1e0d8-1
0.253

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COc1ccc(NC(=O)C[S+]([O-])CC(=O)Nc2cccnc2)cc1

MAR-TRE-7f7bb9f0-90
0.250

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O=C(Cc1cccc(Cl)c1)Nc1nncc2ccccc12

EDJ-MED-50fe53e8-1
0.250

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COc1ccccc1OCCNC(=O)c1cc(O)cc2ccccc12

DAR-DIA-8e329c92-3
0.250

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O=C(Cc1cncc2ccccc12)Nc1cccc(Oc2cccnc2)c1

ERI-UCB-ce40166b-4
0.248

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CC1(c2cccc(CC(=O)Nc3cncc4ccccc34)c2)CC1

DAR-DIA-0cde14eb-46
0.247

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COc1cc(Cl)cc(CC(=O)Nc2cn(C)c(=O)c3ccccc23)c1

MAT-POS-3b92565d-8
0.247

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COc1ccc(Cl)cc1CC(=O)Nc1cncc2ccccc12

MAT-POS-3b92565d-1
0.247

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Cc1cccc(CC(=O)Nc2cccnc2C#N)c1

AGN-NEW-c7b24fe3-3
0.247

View
O=C(Cc1cccc(Cl)c1)Nc1cnccc1Cl

SAM-UNK-2684b532-13
0.247

View
O=C(Cc1cccc(Cl)c1)Nc1cnccc1Cl

ALP-POS-95b75b4d-8
0.247

View
COc1ccc(C[C@H](NC(C)=O)C(=O)O)cc1

MAR-TRE-e86a56b5-64
0.247

View
COc1ccc(Cn2c(=O)c3ncccc3n(CC(=O)Nc3ccccc3)c2=O)cc1

MAR-TRE-b77b7921-82
0.245

View
O=C(Cc1cccc(C2(Cl)CC2)c1)Nc1cncc2ccccc12

DAR-DIA-0cde14eb-47
0.245

View
CS(=O)(=O)c1ccncc1NC(=O)Cc1cccc(C#N)c1

SAD-SAT-24589cd1-3
0.245

View
CCC(F)(F)c1cccc(CC(=O)Nc2cnccc2C)c1

DAR-DIA-0cde14eb-77
0.245

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COc1ccc2c(ccn2CC(=O)Nc2cccnc2)c1

MAR-TRE-67513f76-55
0.245

View
O=C(Cc1cccc(Cl)c1)Nc1cncc2ncccc12

MIC-UNK-08cd9c58-1
0.245

View
COc1ccc(CCc2ccnc(C(=O)N3CCSCC3)c2)cc1

WAR-XCH-bdd24732-3
0.245

View
Cc1ccncc1NC(=O)Cc1cccc(C(F)(F)F)c1

JAN-GHE-83b26c96-14
0.244

View
C=Cc1ncccc1NC(=O)Cc1cccc(C)c1

AGN-NEW-c7b24fe3-2
0.244

View
Cc1ccncc1NC(=O)Cc1cccc(C(F)(F)F)c1

DAR-DIA-0cde14eb-76
0.244

View
Cc1ccncc1NC(=O)Cc1cccc(C(F)(F)F)c1

ALP-POS-95b75b4d-3
0.244

View
O=C(Cc1cccc(Cl)c1)Nc1cnccc1O

ALP-POS-95b75b4d-6
0.244

View
Cc1ncccc1NC(=O)Cc1cccc(Cl)c1

EDG-MED-0da5ad92-14
0.244

View
COC(=O)[C@H](Cc1ccc(OC)cc1)NC(C)=O

MAR-TRE-e86a56b5-83
0.244

View
COc1ccc(-n2c(=O)n(CC(=O)NCc3ccccc3)c3cccnc32)cc1

MAR-TRE-4b834d9a-23
0.243

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COc1ccc2ncc(NC(=O)NCCCO)c(O)c2c1

MAR-TRE-9c797165-63
0.242

View
C#Cc1cccc(CC(=O)Nc2cncc3ccccc23)c1

PET-UNK-c9c1e0d8-2
0.242

View
COc1ccc(CCC(=O)Nc2ccc(N)nc2)cc1OC

MAR-TRE-74c6519b-46
0.242

View
Cc1ccncc1NC(=O)Cc1cccc(C#N)c1

TRY-UNI-714a760b-20
0.242

View
COc1cccc(CC(=O)Oc2csc(CCl)n2)c1

MAR-TRE-36bf7dba-54
0.242

View
COc1ccnc(C(F)C2CCN(C(C)=O)CC2)c1

JON-UNI-bb9dc649-13
0.241

View
Cc1ccncc1NC(=O)Cc1cccc(Cl)c1

TRY-UNI-714a760b-6
0.241

View
Cc1ccncc1NC(=O)Cc1cccc(I)c1

JAN-GHE-83b26c96-13
0.241

View
Cc1ccncc1NC(=O)Cc1cccc(O)c1

ALP-POS-95b75b4d-2
0.241

View
Cc1ccncc1NC(=O)Cc1cccc(CO)c1

EDJ-MED-e58735b6-2
0.241

View
COc1ccc(CC(=O)Nc2cccnc2)cc1S(=O)(=O)N1CCOCC1

MAR-TRE-2fd8122f-35
0.240

View
Cc1ccncc1NC(=O)Cc1cccc(-c2cn[nH]c2)c1

EDJ-MED-e58735b6-4
0.240

View
COc1cc(C2(C(=O)Nc3ccc(N)nc3)CCCC2)ccc1C

MAR-TRE-f6f5f473-69
0.240

View
Cc1ccncc1NC(=O)Cc1cccc(C(C)(F)F)c1

DAR-DIA-0cde14eb-79
0.239

View
O=C(Cc1cccc(Cl)c1)Nc1ncn2ccccc12

EDJ-MED-50fe53e8-3
0.239

View
O=C(Cc1cccc(Cl)c1)Nc1cnc2ccccn12

PET-UNK-8df914d1-2
0.239

View
Cc1ncncc1NC(=O)Cc1cccc(Cl)c1

ABI-SAT-4d06482b-2
0.239

View
Cc1ccncc1NC(=O)Cc1cccc(F)c1

ALP-POS-95b75b4d-1
0.239

View
Cc1ccncc1NC(=O)Cc1cccc(Br)c1

JAN-GHE-83b26c96-12
0.239

View
COc1ccc(CNC(=O)CNC(=O)c2cncnc2)cc1

MAR-TRE-799db12b-84
0.239

View
Cc1ccncc1NC(=O)Cc1cccc(C2CC2)c1

ALP-POS-95b75b4d-4
0.237

View
COc1ccc(Cn2c(=O)c3ncccc3n(CC(=O)Nc3ccccc3F)c2=O)cc1

MAR-TRE-b77b7921-42
0.236

View
NC(=O)c1ccncc1NC(=O)Cc1cccc(Cl)c1

ANN-UNI-98d2bf15-3
0.236

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

AGN-NEW-c7b24fe3-4
0.236

View
COc1ccccc1OC[C@H](C(=O)Nc1cnccc1C)c1cccc(Cl)c1

ADA-UCB-6c2cb422-9
0.236

View
CCC(=O)Nc1ccc(O)c(C(=O)NC[C@@H](O)c2ccc3ccccc3c2)c1

JUA-UNI-b93289a4-7
0.235

View
COc1ccc2nc(C)cc(C(=O)NN)c2c1

MAT-POS-4e253971-3
0.235

View
O=C(Cc1cccc(Cl)c1)Nc1cncc(Cl)c1Cl

JAN-GHE-5a013bed-10
0.235

View
O=C(Cc1cccc(C2(F)CC2)c1)Nc1cncc2ccccc12

DAR-DIA-0cde14eb-48
0.235

View
COc1cc(Cl)cc(CC(=O)Nn2cnc3ccccc32)c1

MAT-POS-3b92565d-11
0.235

View
COc1ccc(CNC(=O)Cn2c(=O)c(=O)n(C)c3ncccc32)cc1

MAR-TRE-4b834d9a-39
0.235

View
CC(O)C(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1cccnc1

MAR-TRE-2fd8122f-56
0.235

View
COC1=CC=NC(NC(=O)CC2=CC=C3C=CC=CC3=C2)=C1

1.000

View
COC1=CC=NC(NC(=O)C(NC(=O)CC2=CC=C3C=CC=CC3=C2)C(C)C)=C1

0.703

View
COC(=O)C1=CC=NC(NC(=O)CC2=CC=C3C=CC=CC3=C2)=C1

0.696

View
COC1=CC=NC(NC(=O)CCC2=CC=C3C=CC=CC3=C2)=C1

0.686

View
CC1=CC=NC(NC(=O)CC2=CC=C3C=CC=CC3=C2)=C1

0.682

View
O=C(CC1=CC=C2C=CC=CC2=C1)NC1=CC(Br)=CC=N1

0.657

View
O=C(CC1=CC=C2C=CC=CC2=C1)NC1=CC(Cl)=CC=N1

0.657

View
CN(C)CC1=CC=NC(NC(=O)CC2=CC=C3C=CC=CC3=C2)=C1

0.648

View
COCCC1=CC=NC(NC(=O)CC2=CC=C3C=CC=CC3=C2)=C1

0.644

View
CN(C)C1=CC=NC(NC(=O)CC2=CC=C3C=CC=CC3=C2)=C1

0.643

View
COC1=CC=NC(NC(=O)CC2=CC=C(CC(=O)NC3=CC(OC)=CC=N3)C=C2)=C1

0.639

View
O=C(CC1=CC=C2C=CC=CC2=C1)NC1=CC(C(F)(F)F)=CC=N1

0.629

View
COC1=CC=C(CC(=O)NC2=CC(OC)=CC=N2)C=C1

0.625

View
CN(C)C(=O)C1=CC=NC(NC(=O)CC2=CC=C3C=CC=CC3=C2)=C1

0.625

View
COC1=CC=NC(NC(=O)COC2=CC=C3C=CC=CC3=C2)=C1

0.620

View
COC1=CC(NC(=O)CC2=CC=C3C=CC=CC3=C2)=NC=N1

0.620

View
COC1=CC=NC(NC(=O)CC2=CC=C(OC)C(OC)=C2)=C1

0.618

View
COC1=CC=CC(CC(=O)NC2=CC(OC)=CC=N2)=C1

0.612

View
COC1=CN=C(NC(=O)CC2=CC=C3C=CC=CC3=C2)N=C1

0.609

View
O=C(CC1=CC=C2C=CC=CC2=C1)NC1=CC=CC=N1

0.606

View
COC1=CC=NC(NC(=O)CC2=CC=C(Cl)C(Cl)=C2)=C1

0.603

View
COC1=CC=NC(NC(=O)CC2=CC=C(C)C(C)=C2)=C1

0.603

View
COC1=CC=NC(NC(=O)CC2=CC=CC(C)=C2)=C1

0.594

View
COC1=CC=NC(NC(=O)CC2=CC=CC(Cl)=C2)=C1

0.594

View
COC1=CC=NC(NC(=O)CC2=CC=CC(I)=C2)=C1

0.594

View
COC1=CC=NC(NC(=O)CC2=CC=C(F)C(F)=C2)=C1

0.594

View
COC1=CC=NC(NC(=O)CC2=CC=C(C)C(OC)=C2)=C1

0.594

View
COC(=O)C1=NC=CC(NC(=O)CC2=CC=C3C=CC=CC3=C2)=N1

0.589

View
COC1=CC=NC(NC(=O)CC2=CN=C3C=CC=CC3=C2)=C1

0.587

View
COC1=CC=NC(NC(=O)CC2=CC=C3[NH]N=CC3=C2)=C1

0.587

View
COC1=CC=NC(NC(=O)CCOC2=CC=C3C=CC=CC3=C2)=C1

0.587

View
COC1=CC=NC(NC(=O)CC2=CC=CC(Br)=C2)=C1

0.586

View
COC1=CC=NC(NC(=O)CC2=CC=CC(F)=C2)=C1

0.586

View
COC1=CC=NC(NC(=O)CC2=CC=C(OC)C(F)=C2)=C1

0.586

View
COC1=CC=NC(NC(=O)CC2=CC=C(C)C(O)=C2)=C1

0.586

View
COC1=CC=NC(NC(=O)CC2=CC=C(C)C(Br)=C2)=C1

0.586

View
COC1=CC=NC(NC(=O)CC2=CC=C(N3C=CC=C3)C=C2)=C1

0.583

View
COC1=CC(NC(=O)CC2=CC=C3C=CC=CC3=C2)=CC=N1

0.583

View
COC1=CC=NC(NC(=O)CC2=CC=C(C)C=C2)=C1

0.582

View
CCC1=CC=C(CC(=O)NC2=CC(OC)=CC=N2)C=C1

0.582

View
COC1=CC=NC(NC(=O)CC2=CC=C(O)C=C2)=C1

0.582

View
COC1=CC=NC(NC(=O)CSC2=CC=C3C=CC=CC3=C2)=C1

0.581

View
COC1=CC=NC(CNC(=O)CC2=CC=C3C=CC=CC3=C2)=C1

0.581

View
COC1=CC=NC(NC(=O)CC2=CC=C(CC(C)C)C=C2)=C1

0.580

View
COC1=CC=NC(NC(=O)CC2=CC=C3C=N[NH]C3=C2)=C1

0.579

View
COCC1=CC=CC(CC(=O)NC2=CC(OC)=CC=N2)=C1

0.577

View
COC1=CC=NC(NC(=O)CC2=CC=C(F)C(Br)=C2)=C1

0.577

View
COC1=CC=NC(NC(=O)CC2=CC=C(Br)C(F)=C2)=C1

0.577

View
COC1=CC(OC)=CC(CC(=O)NC2=CC(OC)=CC=N2)=C1

0.576

View
COC1=CC=NC(NC(=O)CC2=CC=C(Cl)C=C2)=C1

0.574

View
COC1=CC=NC(NC(=O)CC2=CC=C(Br)C=C2)=C1

0.574

View
COC1=CC=NC(NC(=O)CC2=CC=C(F)C=C2)=C1

0.574

View
COC1=CC=NC(NC(=O)CC2=CC=C(I)C=C2)=C1

0.574

View
COC1=CC=NC(NC(=O)CC2=CC=C(S(C)=O)C=C2)=C1

0.571

View
COC1=CC=NC(NC(=O)CC2=CC=C(C3=CC=CC=C3)C=C2)=C1

0.569

View
COC(=O)C1=CC=CC(CC(=O)NC2=CC(OC)=CC=N2)=C1

0.569

View
COC1=CC=NC(NC(=O)CC2=CC=C(Br)C(Cl)=C2)=C1

0.569

View
COC1=CC=NC(NC(=O)CC2=CC=CC([N+](=O)[O-])=C2)=C1

0.569

View
COC1=CC=NC(NC(=O)CC2=CC=NC=C2)=C1

0.567

View
COC1=CC=NC(C(=O)NNC(=O)CC2=CC=C3C=CC=CC3=C2)=C1

0.566

View
COC1=CC=NC(NC(=O)CC2=CC=C(C(C)=O)C=C2)=C1

0.565

View
COC1=CC=NC(NC(=O)CC2=CC=C(C)N=C2)=C1

0.565

View
COC1=CC=NC(NC(=O)CC2=CC=C(NC(C)=O)C=C2)=C1

0.565

View
COC1=CC=NC(NC(=O)CC2=CC=CN=C2)=C1

0.565

View
COC1=CC=NC(NC(=O)CC2=CC=C(C(C)(C)C)C=C2)=C1

0.565

View
COC1=CC=NC(NC(=O)CC2=CC=CC(C(F)F)=C2)=C1

0.562

View
COC1=CC=NC(NC(=O)CC2=CC=CC(C(F)(F)F)=C2)=C1

0.562

View
COC1=CC=NC(NC(=O)CC2=CC=CC3=CC=C(OC)C=C23)=C1

0.560

View
COC1=CC=NC(NC(=O)CC2=CC(C)=CC(C)=C2)=C1

0.559

View
COC1=CC=NC(NC(=O)CC2=CN=CN=C2)=C1

0.559

View
COC1=CC=NC(NC(=O)CCC(=O)C2=CC=C3C=CC=CC3=C2)=C1

0.558

View
COC1=CC=NC(NC(=O)CC2=CC=C(C(N)=O)C=C2)=C1

0.557

View
CCOC1=CC=C(CC(=O)NC2=CC(OC)=CC=N2)C=C1

0.557

View
COC1=CC=NC(NC(=O)CC2=CC=C(Cl)N=C2)=C1

0.557

View
COC1=CC=CC(NC(=O)CC2=CC=C3C=CC=CC3=C2)=C1

0.556

View
COC1=CC=NC(NC(=O)C2=CC=C3C=CC=CC3=C2)=C1

0.556

View
CCSC1=CC=C(CC(=O)NC2=CC(OC)=CC=N2)C=C1

0.556

View
COC1=CC=NC(NC(=O)CC2=CC=CC(OC(C)C)=C2)=C1

0.554

View
COC1=CC=NC(NC(=O)CC2=CC=C3CCCCC3=C2)=C1

0.554

View
COC1=CC=NC(NC(=O)CCNC(=O)C2=CC=C3C=CC=CC3=C2)=C1

0.550

View
COC1=CC=NC(NC(=O)CC2=CC=C(C#N)C=C2)=C1

0.549

View
COC1=CC=NC(NC(=O)CC2=CC=C(C(F)(F)F)C=C2)=C1

0.549

View
COC1=CC=NC(NC(=O)CC2=CC=C(C(F)F)C=C2)=C1

0.549

View
COC1=CC=NC(NC(=O)CC2=CC=CC3=CC=CC=C23)=C1

0.547

View
COC1=CC=NC(NC(=O)CC2=CC=C3CCCC3=C2)=C1

0.547

View
COC1=CC=NC(NC(=O)CC2=CC=C3OCCOC3=C2)=C1

0.547

View
COC1=CC=NC(NC(=O)CC2=CC=CC(OC(F)F)=C2)=C1

0.547

View
COC1=CC=NC(NC(=O)CC2=C(C)C=CC=C2C)=C1

0.543

View
COC1=CC=NC(NC(=O)CC2=CC=C([N+](=O)[O-])C=C2)=C1

0.542

View
COC1=CC=NC(NC(=O)CNS(=O)(=O)C2=CC=C3C=CC=CC3=C2)=C1

0.537

View
COC1=CC=NC(NC(=O)CC2=CC=CC=C2CO)=C1

0.535

View
COC1=CC=NC(NC(=O)CC2=CC=C3COCC3=C2)=C1

0.532

View
COC1=CC=NC(NC(=O)CC2=CC=C3[NH]C(=O)[NH]C3=C2)=C1

0.532

View
COC1=CC=NC(NC(=O)CC2=C(OC)C=CC=C2OC)=C1

0.529

View
COC1=CC=NC(NC(=O)CC2=CC=CC=C2Br)=C1

0.528

View
COC1=CC=NC(NC(=O)CC2=CC=CC=C2OC)=C1

0.528

View
COC1=CC=NC(NC(=O)CC2=CC=C3N=CSC3=C2)=C1

0.526

View
COC1=CC=NC(NC(=O)CC2=C(Cl)C=CC=C2Cl)=C1

0.514

View
COC1=CC=NC(NC(=O)CC2=C(F)C=CC=C2F)=C1

0.514

View
COC1=CC=NC(NC(=O)CNC(=O)CC2=CC=CC=C2)=C1

0.487

View
COc1ccnc(NC(=O)Cc2ccc3ccccc3c2)c1

1.000

View
Cc1ccnc(NC(=O)Cc2ccc3ccccc3c2)c1

0.682

View
O=C(Cc1ccc2ccccc2c1)Nc1ccccn1

0.606

View
COc1ccnc(NC(=O)Cc2ccccc2C)c1

0.543

View
COc1ccnc(NC(=O)Cc2ccc(cc2)[N+]([O-])=O)c1

0.542

View
O=C(Cc1cccc2ccccc12)Nc1ccccn1

0.262

View
Cl.O=C(Cc1cccc2ccccc12)Nc1ccccn1

0.259

View
C(NC1N=CC=C(OC)C=1)(=O)CC1C=CC2=C(C=CC=C2)C=1

1.000

View
C(NC1N=CC=C(OC)C=1)(=O)CCCC1=CC2=C(C=CC=C2)C=C1

0.667

View
C(NC1=CC=C(OC)C=N1)(=O)CC1C=CC2=C(C=CC=C2)C=1

0.632

View
C(NC1N=CC=C(OC)C=1)(CC1=CC=CC=C1)=O

0.615

View
C(NC1=NC=CC=C1)(=O)CC1C=CC2=C(C=CC=C2)C=1

0.606

View
C(NC1N=CC=C(OC)C=1)(=O)CC1C=CC=C(C)C=1

0.594

View
C(NC1N=CC=C(OC)C=1)(=O)CC1=CC=C(C)C=C1

0.582

View
C(NC1N=CC=C(OC)C=1)(=O)CC1=CC=C(CC)C=C1

0.582

View
C(NC1N=CC=C(OC)C=1)(=O)CC1=CC=C(F)C=C1

0.574

View
C(NC1N=CC=C(OC)C=1)(=O)CC1=CC=C(I)C=C1

0.574

View
C(NC1=NC=C(C)C=C1)(=O)CC1C=CC2=C(C=CC=C2)C=1

0.549

View
C(NC1N=CC=C(OC)C=1)(=O)CC1=CC=C(C#N)C=C1

0.549

View
C(NC1N=CC=C(OC)C=1)(=O)CC1C2C(=CC=CC=2)C=CC=1

0.547

View
C(NC1N=C(C)C=CC=1)(=O)CC1C=CC2=C(C=CC=C2)C=1

0.535

View
C(NC1C(C#N)=C(OC)C=CN=1)(=O)CC1C=CC2=C(C=CC=C2)C=1

0.532

View
C(NC1=NC=C(F)C=C1)(=O)CC1C=CC2=C(C=CC=C2)C=1

0.528

View
C(NC1N=CC=C(OC)C=1)(=O)CCC1C2C(=CC=CC=2)C=CC=1

0.481

View
C(NC1N=CC=C(OC)C=1)(=O)C(C)C1C2C(=CC=CC=2)C=CC=1

0.451

View
C(NC1N=CC=C(OC)C=1)(=O)C(C1C=CC2C=C(OC)C=CC=2C=1)C

0.381

View
C(NC1=NC=CC=C1)(=O)CC1C2C(=CC=CC=2)C=CC=1

0.262

View

Discussion: