Molecule Details

Cc1cccc(CC(=O)Nc2cnccc2C#N)c1
3-aminopyridine-like
Molecular Properties
SMILES:
Cc1cccc(CC(=O)Nc2cnccc2C#N)c1
MW: 251.289
Fraction sp3: 0.13
HBA: 3
HBD: 1
Rotatable Bonds: 3
TPSA: 65.78
cLogP: 2.4429
Covalent Warhead: ✔️
Covalent Fragment:
CS(=O)(=O)NCCc1ccccc1

AAR-POS-d2a4d1df-1

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N#Cc1ccncc1NC(=O)Cc1cccc(Cl)c1

MAK-UNK-6ca90168-23
0.703

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N#Cc1cccc(CC(=O)Nc2cnccc2C#N)c1

SAD-SAT-24589cd1-5
0.692

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

AGN-NEW-c7b24fe3-3
0.557

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N#Cc1ccncc1NC(=O)CCl

MAK-UNK-6ca90168-29
0.548

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

TRY-UNI-714a760b-20
0.500

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

AGN-NEW-c7b24fe3-6
0.493

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

AGN-NEW-c7b24fe3-2
0.486

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Cc1ccncc1NC(=O)Cc1cccc(O)c1

ALP-POS-95b75b4d-2
0.472

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

ANN-UNI-98d2bf15-2
0.467

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C=CC(=O)Nc1cnccc1C#N

MAK-UNK-6ca90168-28
0.462

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

SAD-SAT-24589cd1-3
0.456

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N#Cc1cccc(CC(=O)Nc2cnccc2[N+](=O)[O-])c1

SAD-SAT-24589cd1-1
0.456

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Cc1ccncc1NC(=O)Cc1cccc(Cl)c1

TRY-UNI-714a760b-6
0.452

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Cc1ccncc1NC(=O)Cc1cccc(CO)c1

EDJ-MED-e58735b6-2
0.452

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Cc1ccncc1NC(=O)Cc1cccc(I)c1

JAN-GHE-83b26c96-13
0.452

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N#Cc1cccc(CC(=O)Nc2cnccc2CN)c1

SAD-SAT-24589cd1-8
0.449

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

ALP-POS-95b75b4d-3
0.447

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

JAN-GHE-83b26c96-14
0.447

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

DAR-DIA-0cde14eb-76
0.447

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Cc1ccncc1NC(=O)Cc1cccc(F)c1

ALP-POS-95b75b4d-1
0.446

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Cc1ccncc1NC(=O)Cc1cccc(Br)c1

JAN-GHE-83b26c96-12
0.446

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Cc1ccncc1NC(=O)Cc1cccc(C2(C#N)CC2)c1

DAR-DIA-0cde14eb-14
0.439

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

DAR-DIA-0cde14eb-79
0.436

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COc1cccc(CC(=O)Nc2cnccc2C)c1

EDJ-MED-e58735b6-1
0.434

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N#Cc1ccccc1NC(=O)Cc1cccnc1

ANT-DIA-3c79be55-2
0.431

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

ANN-UNI-98d2bf15-5
0.430

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Cc1ccncc1NC(=O)Cc1cccc(C2(C)CC2)c1

DAR-DIA-0cde14eb-1
0.430

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O=C(Cc1cccc(Cl)c1)Nc1cnccc1Cl

SAM-UNK-2684b532-13
0.425

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O=C(Cc1cccc(Cl)c1)Nc1cnccc1Cl

ALP-POS-95b75b4d-8
0.425

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

DAR-DIA-0cde14eb-77
0.420

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O=C(Cc1cccc(Cl)c1)Nc1cnccc1O

ALP-POS-95b75b4d-6
0.419

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Cc1ccncc1NC(=O)Cc1cccc(S(N)(=O)=O)c1

EDJ-MED-e58735b6-3
0.418

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Cc1ccncc1NC(=O)Cc1cccc([S+](C)[O-])c1

DAR-DIA-0cde14eb-78
0.418

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Cc1c(N)cncc1NC(=O)Cc1cccc(C#N)c1

TRY-UNI-714a760b-19
0.412

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Cc1ccncc1NC(=O)Cc1cccc(C2CC2)c1

ALP-POS-95b75b4d-4
0.412

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Cc1ccncc1NC(=O)Cc1cncc(C#N)c1

TRY-UNI-2eddb1ff-1
0.410

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O=C(Cc1cccc(Cl)c1)Nc1cnccc1C(F)(F)F

SAM-UNK-2684b532-12
0.410

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CC(C)c1ccncc1NC(=O)Cc1cccc(Cl)c1

MAT-POS-bb423b95-5
0.410

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N#Cc1ccncc1NC(=O)c1cccc(NC(=O)Nc2cccnc2)c1

MAK-UNK-10dfa458-24
0.410

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Cc1ccncc1NC(=O)Cc1cccc(C2(F)CC2)c1

DAR-DIA-0cde14eb-2
0.407

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NS(=O)(=O)c1ccncc1NC(=O)Cc1cccc(Cl)c1

ALP-POS-95b75b4d-7
0.405

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

ANN-UNI-98d2bf15-3
0.403

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Cc1ccncc1NC(=O)Cc1cccc(C2(I)CC2)c1

DAR-DIA-0cde14eb-4
0.402

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Cc1ccncc1NC(=O)Cc1cccc(C2(Cl)CC2)c1

DAR-DIA-0cde14eb-3
0.402

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

EDJ-MED-e58735b6-4
0.393

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O=C(Cc1cccc(Cl)c1)Nc1cnccc1C(F)F

SAM-UNK-2684b532-11
0.392

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CC(=O)N1CCC(c2ccncc2NC(=O)Cc2cccc(C#N)c2)CC1

SAD-SAT-24589cd1-9
0.391

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Cc1ncncc1NC(=O)Cc1cccc(Cl)c1

ABI-SAT-4d06482b-2
0.390

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Cc1ccncc1NC(=O)Cc1ccccc1

TRY-UNI-714a760b-5
0.389

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N#Cc1ccncc1NC(=O)c1ccc(NC(=O)Nc2cccnc2)cc1

MAK-UNK-10dfa458-31
0.386

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CNc1cccc(CC(=O)Nc2cnccc2C2CC2)c1

ALP-POS-95b75b4d-10
0.386

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N#Cc1cccc(CC(=O)Nc2cnccc2CN2CCNCC2)c1

MAK-UNK-748f8b7a-6
0.385

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N#Cc1cccc(CC(=O)Nc2cnccc2CN2CCOCC2)c1

SAD-SAT-24589cd1-6
0.385

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Cc1ccncc1NC(=O)Cc1cccc(CN2CCOCC2)c1

SAD-SAT-7d5528d9-1
0.384

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O=C(Cc1cccc(Cl)c1)Nc1cnccc1C1CC1

MAT-POS-bb423b95-4
0.383

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O=C(Cc1cccc(Cl)c1)Nc1cnccc1C1CC1

ALP-POS-95b75b4d-5
0.383

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N#Cc1cccc(CC(=O)Nc2cnccc2C2CCCNC2)c1

SAD-SAT-24589cd1-10
0.380

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Cc1ccncc1NC(=O)Cc1cccc(OC2CC(=O)N2)c1

RAL-THA-901e9a10-7
0.379

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Cc1ccncc1NC(=O)Cc1cccc(OC2CC(=O)N2)c1

BRU-LEF-c49414a7-1
0.379

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O=C(Cc1cccc(Cl)c1)Nc1cnccc1-c1ccccc1

ALP-POS-0c2c77e1-1
0.378

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O=C(Cc1cccc(Cl)c1)Nc1cnccc1-c1ccccc1

MAT-POS-bb423b95-3
0.378

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Cc1ccncc1NC(=O)CC#N

ASH-SAT-43770c7d-9
0.377

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N#Cc1ccc(O)c(NC(=O)Cc2cccnc2)c1

BEN-DND-61647d40-8
0.377

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Cc1cncc(NC(=O)Cc2cccc(Cl)c2)c1C

PET-UNK-8df914d1-3
0.377

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C[C@@H](C(=O)Nc1cnccc1C#N)C1CCN(C(=O)CCl)CC1

SAD-SAT-89668ff1-3
0.372

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N#Cc1cccc(CC(=O)Nc2cccnc2)c1

ANN-UNI-26382800-5
0.372

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Cc1ccc(CC(=O)Nc2cnccc2C)cc1

JAN-GHE-83b26c96-11
0.370

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Cc1c(N)cncc1NC(=O)Cc1cccc(Cl)c1

TRY-UNI-714a760b-3
0.367

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

AGN-NEW-c7b24fe3-4
0.367

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CC1COC(CO)CN1Cc1ccncc1NC(=O)Cc1cccc(C#N)c1

MAK-UNK-748f8b7a-9
0.366

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O=C(Cc1cccc(Cl)c1)Nc1cncc2cnccc12

MAT-POS-bb423b95-1
0.366

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Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

TRY-UNI-2eddb1ff-2
0.364

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Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

EDG-MED-0da5ad92-8
0.364

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Cc1cccc(CC(=O)NCc2nnn(C)n2)c1

RAF-POL-b61b4b25-9
0.364

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N#Cc1cnc(O)c(NC(=O)Cc2cccnc2)c1

BEN-DND-61647d40-7
0.362

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N#Cc1cccc(NC(=O)Cc2cccnc2)c1

DAR-DIA-23aa0b97-4
0.359

View
O=C(Cc1cccc(Cl)c1)Nc1cncc2ccncc12

MAT-POS-f7918075-5
0.357

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

JAN-GHE-5a013bed-10
0.355

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Cc1ccncc1NC(=O)Cc1ccc2[nH]ccc2c1

VLA-UCB-00f2c2b3-1
0.353

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O=C(Cc1cccc(Cl)c1)Nc1cncc2c1CCCN2

MAT-POS-14ad9fe9-1
0.352

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Cc1cnncc1NC(=O)Cc1cccc(Cl)c1

EDG-MED-0da5ad92-16
0.351

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Cc1[nH]ncc1NC(=O)Cc1cccc(Cl)c1

EDG-MED-0da5ad92-21
0.351

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O=C(Cc1cccc(Cl)c1)Nc1cncc2c(Cl)cccc12

MAT-POS-bb423b95-9
0.349

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CCNc1ncc(C#N)cc1CC(=O)Nc1cnccc1C

TRY-UNI-1fd04853-1
0.349

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CCNc1ncc(C#N)cc1CC(=O)Nc1cnccc1C

PET-SGC-175e168c-1
0.349

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Cc1ncccc1NC(=O)Cc1cccc(Cl)c1

EDG-MED-0da5ad92-14
0.346

View
CCc1ccncc1NC(=O)Cc1cccc(C(F)(F)F)n1

JAG-UCB-a3ef7265-23
0.345

View
Cc1ccncc1NC(=O)Cc1cnn(C2(C#N)CC2)c1

DAR-DIA-0cde14eb-74
0.345

View
Cc1ccncc1NC(=O)Cc1ccc2[nH]ncc2c1

VLA-UCB-00f2c2b3-2
0.341

View
Cc1ccncc1NC(=O)Cc1cc(Cl)cc(NCC(C)(C)C#N)c1

MAT-POS-044491d2-7
0.341

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Cc1ccncc1NC(=O)Cc1ccsc1

MIH-UNI-6b9ca91a-1
0.338

View
O=C(Cc1cc(F)ccc1F)Nc1cnccc1O

MAR-TRE-7f7bb9f0-91
0.338

View
CSc1ccncc1NC(=O)Cc1ccc2c(c1)CCCC2

BAR-COM-0f94fc3d-49
0.337

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

MIC-UNK-08cd9c58-1
0.337

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

MAT-POS-f7918075-3
0.337

View
Cc1cc(N)ncc1NC(=O)Cc1cccc(Cl)c1

EDG-MED-0da5ad92-17
0.333

View
Cc1ccncc1NC(=O)CN(C)c1cccc(C#N)c1

GAB-REV-70cc3ca5-19
0.333

View
Cc1ccncc1NC(=O)CNC(=O)Cc1cccnc1

GAB-REV-70cc3ca5-13
0.333

View
Cc1ccncc1NC(=O)Cc1ccc2nc[nH]c2c1

GAB-REV-70cc3ca5-18
0.333

View
Cc1ccncc1NC(=O)Cc1cc(Cl)cc(C(N)=O)c1

RAL-THA-6b94ceba-6
0.333

View
Cc1cccc(CC(=O)Nc2ccncc2C#N)c1

0.826

View
Cc1cccc(CC(=O)Nc2cnccc2C)c1

0.739

View
Cc1cccc(CC(=O)Nc2ccccc2C#N)c1

0.717

View
Cc1cccc(CC(=O)Nc2cnccc2O)c1

0.708

View
Cc1cccc(CC(=O)Nc2ccncc2C)c1

0.702

View
CC(=O)Nc1ccncc1NC(=O)Cc1cccc(C)c1

0.694

View
Cc1cccc(CC(=O)Nc2cnc(Cl)cc2C#N)c1

0.686

View
COc1ccncc1NC(=O)Cc1cccc(C)c1

0.680

View
CSc1ccncc1NC(=O)Cc1cccc(C)c1

0.680

View
Cc1cccc(COc2cccc(CC(=O)Nc3ccncc3C#N)c2)c1

0.679

View
Cc1cccc(CC(=O)Nc2ccncc2Br)c1

0.673

View
Cc1cccc(CC(=O)Nc2ccncc2F)c1

0.673

View
Cc1cccc(CC(=O)Nc2ccncc2I)c1

0.673

View
Cc1cccc(CC(=O)Nc2ccncc2O)c1

0.673

View
Cc1cccc(CC(=O)Nc2cccc(C#N)c2C)c1

0.667

View
Cc1cccc(CC(=O)Nc2cnccc2-c2ccccc2)c1

0.667

View
Cc1cccc(CC(=O)Nc2cnccc2OC(C)(C)C)c1

0.667

View
CCc1cnccc1NC(=O)Cc1cccc(C)c1

0.660

View
CC(=O)c1cnccc1NC(=O)Cc1cccc(C)c1

0.660

View
Cc1cccc(CCC(=O)Nc2ccncc2C#N)c1

0.654

View
Cc1cccc(CC(=O)Nc2cnccc2-c2cccc(F)c2)c1

0.648

View
Cc1cccc(CC(=O)Nc2cccc3ccncc23)c1

0.647

View
Cc1cccc(CC(=O)Nc2cccc3cnccc23)c1

0.647

View
Cc1cccc(CNc2cnccc2C#N)c1

0.646

View
Cc1cccc(CC(=O)Nc2ccnc3ccncc23)c1

0.635

View
Cc1cccc(CC(=O)Nc2cnccc2Oc2ccccc2)c1

0.630

View
Cc1cccc(CC(=O)Nc2cnccc2-n2cccn2)c1

0.630

View
Cc1cccc(CC(=O)Nc2cnccc2-n2cc(C)cn2)c1

0.630

View
Cc1cccc(CC(=O)Nc2cnccc2-n2ccnc2C)c1

0.630

View
Cc1cccc(CC(=O)Nc2ccc(F)cc2C#N)c1

0.627

View
N#Cc1cnccc1NC(=O)Cc1cccc(F)c1

0.627

View
N#Cc1cnccc1NC(=O)Cc1cccc(Br)c1

0.627

View
N#Cc1cnccc1NC(=O)Cc1cccc(Cl)c1

0.627

View
N#Cc1cnccc1NC(=O)Cc1cccc(I)c1

0.627

View
Cc1cncc(CC(=O)Nc2ccncc2C#N)c1

0.627

View
COc1cccc(CC(=O)Nc2ccncc2C#N)c1

0.623

View
Cc1cccc(CC(=O)Nc2ccncc2C(=O)C(C)C)c1

0.623

View
Cc1cccc(CC(=O)Nc2cc(C#N)ccc2C)c1

0.620

View
Cc1cccc(CCNc2cnccc2C#N)c1

0.620

View
Cc1cccc(CC(=O)Nc2cnccc2N2CCN(C)CC2)c1

0.618

View
Cc1cccc(CSCC(=O)Nc2ccncc2C#N)c1

0.618

View
Cc1cccc(CC(=O)Nc2ccncc2)c1

0.617

View
Cc1cccc(CC(=O)Nc2cccnc2)c1

0.612

View
Cc1cccc(CC(=O)Nc2cnccn2)c1

0.612

View
COCc1cccc(CC(=O)Nc2ccncc2C#N)c1

0.611

View
Cc1cccc(CC(=O)Nc2sccc2C#N)c1

0.608

View
Cc1cccc(CC(=O)Nc2ccc(C#N)cn2)c1

0.608

View
Cc1cccc(CC(=O)Nc2cncc(Cl)c2Cl)c1

0.608

View
Cc1cccc(CC(=O)Nc2cncc3ccccc23)c1

0.608

View
Cc1ccncc1NC(=O)Cc1cccc(F)c1

0.608

View
Cc1cccc(COc2cccc(CC(=O)Nc3cnccc3C)c2)c1

0.607

View
Cc1cccc(NC(=O)Nc2cccc(CNc3cnccc3C#N)c2)c1

0.607

View
Cc1cccc(CC(=O)Nc2ccc(C#N)c(C#N)c2)c1

0.600

View
Cc1ccc(CC(=O)Nc2ccncc2C#N)cc1

0.600

View
CCCOc1cccc(CC(=O)Nc2ccncc2C#N)c1

0.596

View
Cc1cccc(CC(=O)Nc2ccc(C#N)cc2Cl)c1

0.596

View
Cc1cccc(CC(=O)Nc2ccc(C#N)nc2)c1

0.596

View
Cc1c(C#N)cccc1NC(=O)Cc1cccnc1

0.596

View
CNc1ccc(C#N)cc1NC(=O)Cc1cccc(C)c1

0.596

View
Cc1cccc(CC(=O)Nc2cc(C#N)ccc2O)c1

0.596

View
Cc1cccc(CC(=O)Nc2ccccc2Nc2ccncc2)c1

0.596

View
Cc1cccc(CC(=O)Nc2nn(C(C)C)cc2C#N)c1

0.593

View
Cc1cccc(CC(=O)Nc2cc(C#N)c3ccccc3n2)c1

0.593

View
Cc1cccc(CC(=O)Nc2cc(C)c(N(C)C)cc2C#N)c1

0.593

View
Cc1cccc(CC(=O)Nc2ccc(C#N)cc2)c1

0.592

View
Cc1cccc(CC(=O)Nc2cnncc2C)c1

0.592

View
Cc1cccc(COc2cccc(CC(=O)Nc3ccccc3C#N)c2)c1

0.589

View
COC(=O)c1cccc(CC(=O)Nc2ccncc2C#N)c1

0.589

View
Cc1cccc(CC(=O)Nc2ccncc2N2CCOCC2)c1

0.589

View
Cc1cc(C)c(CC(=O)Nc2ccncc2C#N)c(C)c1

0.588

View
Cc1cccc(C)c1CC(=O)Nc1ccncc1C#N

0.588

View
Cc1ccncc1NC(=O)Cc1cccc(Br)c1

0.588

View
Cc1ccncc1NC(=O)Cc1cccc(Cl)c1

0.588

View
Cc1ccncc1NC(=O)Cc1cccc(I)c1

0.588

View
Cc1cccc(CC(=O)Nc2ccccc2-n2ncc(C#N)c2N)c1

0.586

View
Cc1cccc(COc2cccc(CC(=O)Nc3cnccc3O)c2)c1

0.586

View
Cc1cccc(CNC(=O)c2cnccc2C#N)c1

0.585

View
Cc1cccc(CC(=O)Nc2cc(-c3ccncc3)ccc2C)c1

0.585

View
Cc1cccc(CC(=O)Nc2c(C#N)c(C)nn2C)c1

0.585

View
Cc1cncc(CC(=O)Nc2cccc(C#N)c2C)c1

0.585

View
Cc1cccc(CC(=O)Nc2cncc(Cl)c2Br)c1

0.585

View
Cc1cccc(CC(=O)Nc2[nH]nc(C)c2C#N)c1

0.585

View
Cc1cccc(CC(=O)Nc2ccccc2SCCC#N)c1

0.582

View
N#Cc1cnccc1NC(=O)Cc1cccc(C(F)(F)F)c1

0.582

View
N#Cc1cnccc1NC(=O)Cc1cccc(C(F)F)c1

0.582

View
Cc1cccc(CC(=O)Nc2nc3c(C#N)cccc3n2C)c1

0.582

View
Cc1cccc(CC(=O)Nc2cc(C(C)(C)C)sc2C#N)c1

0.582

View
Cc1cccc(CC(=O)Nc2cc(-c3cccnc3)ccc2C)c1

0.582

View
N#Cc1ccccc1NC(=O)Cc1cccnc1

0.580

View
Cc1cccc(CC(=O)Nc2cccc(C#N)c2)c1

0.580

View
N#Cc1cnccc1NC(=O)Cc1cccnc1

0.580

View
Cc1cccc(CC(=O)Nc2ccnnc2C)c1

0.580

View
Cc1cccc(CC(=O)Nc2cccnc2C)c1

0.580

View
N#Cc1cnccc1NC(=O)Cc1cccc(OC(F)(F)F)c1

0.579

View
CC(C)Oc1cccc(CC(=O)Nc2ccncc2C#N)c1

0.579

View
CCS(=O)(=O)c1cccc(CC(=O)Nc2ccncc2C#N)c1

0.579

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

0.579

View
Cc1cccc(COc2cccc(CC(=O)Nc3ccncc3C)c2)c1

0.579

View
Cc1cccc(CC(=O)Nc2ccccc2CC#N)c1

0.577

View
Cc1cccc(CCC(=O)Nc2cnccc2C)c1

0.577

View

C(NC1=C(C)C=CN=C1)(=O)CC1C=CC=C(C)C=1

0.926

View
C(NC1=C(C)C=CN=C1)(=O)CC1=CC=C(C#N)C=C1

0.867

View
C(NC1=C(C)C=CN=C1)(=O)CC1=CC=C(C)C=C1

0.850

View
C(NC1=C(C)C=CN=C1)(=O)CC1=CC=CC=C1

0.847

View
C(NC1=C(C)C=CN=C1)(=O)CC1C=CC(F)=C(C)C=1

0.837

View


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