Molecule Details

Cc1ccncc1NC(=O)Cc1cccc(C2(Cl)CC2)c1
3-aminopyridine-like
Molecular Properties
SMILES:
Cc1ccncc1NC(=O)Cc1cccc(C2(Cl)CC2)c1
MW: 300.1
Fraction sp3: 0.29
HBA: 2
HBD: 1
Rotatable Bonds: 4
TPSA: 41.99
cLogP: 3.8
Covalent Warhead:
Covalent Fragment:

tertiary_halide_sulfate

Filter6_benzyl_halide

Alkyl Halide

CC(=O)Nc1cnccc1C

MAK-UNK-6435e6c2-8

View
O=C(Nc1ccccc1)Nc1cccnc1

AAR-POS-d2a4d1df-11

View

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

DAR-DIA-0cde14eb-1
0.735

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

DAR-DIA-0cde14eb-2
0.725

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

DAR-DIA-0cde14eb-4
0.714

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

DAR-DIA-0cde14eb-14
0.685

View
Cc1ccncc1NC(=O)Cc1cccc(C2CC2)c1

ALP-POS-95b75b4d-4
0.639

View
Cc1ccncc1NC(=O)Cc1cccc(I)c1

JAN-GHE-83b26c96-13
0.632

View
Cc1ccncc1NC(=O)Cc1cccc(Cl)c1

TRY-UNI-714a760b-6
0.632

View
Cc1ccncc1NC(=O)Cc1cccc(CO)c1

EDJ-MED-e58735b6-2
0.609

View
Cc1ccncc1NC(=O)Cc1cccc(O)c1

ALP-POS-95b75b4d-2
0.609

View
COc1cccc(CC(=O)Nc2cnccc2C)c1

EDJ-MED-e58735b6-1
0.606

View
Cc1ccncc1NC(=O)Cc1cccc(F)c1

ALP-POS-95b75b4d-1
0.600

View
Cc1ccncc1NC(=O)Cc1cccc(Br)c1

JAN-GHE-83b26c96-12
0.600

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

DAR-DIA-0cde14eb-78
0.581

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

ALP-POS-95b75b4d-3
0.575

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

JAN-GHE-83b26c96-14
0.575

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

ANN-UNI-98d2bf15-2
0.575

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

DAR-DIA-0cde14eb-76
0.575

View
O=C(Cc1cccc(C2(Cl)CC2)c1)Nc1cncc2c1CCCC2

DAR-DIA-0cde14eb-32
0.568

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

TRY-UNI-714a760b-20
0.568

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

DAR-DIA-0cde14eb-47
0.562

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

EDJ-MED-e58735b6-3
0.560

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

DAR-DIA-0cde14eb-79
0.560

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

ANN-UNI-98d2bf15-5
0.553

View
Cc1ccncc1NC(=O)Nc1cccc(C2(Cl)CC2)c1

DAR-DIA-0cde14eb-6
0.553

View
Cc1ccncc1NC(=O)Cc1ccccc1

TRY-UNI-714a760b-5
0.544

View
Cc1ccncc1NC(=O)Cc1cc(N2CCCCC2)cc(C2(Cl)CC2)c1

DAR-DIA-0cde14eb-17
0.541

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

DAR-DIA-0cde14eb-77
0.538

View
Cc1ccncc1NC(=O)Cc1cccc(CN2CCOCC2)c1

SAD-SAT-7d5528d9-1
0.531

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

EDJ-MED-e58735b6-4
0.525

View
Cc1ccncc1NC(=O)C(C)c1cccc(C2(Cl)CC2)c1

DAR-DIA-0cde14eb-11
0.525

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

RAL-THA-901e9a10-7
0.524

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

BRU-LEF-c49414a7-1
0.524

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Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

EDG-MED-0da5ad92-8
0.507

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Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

TRY-UNI-2eddb1ff-2
0.507

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Cc1ccncc1NC(=O)Cc1cnn(C2(Cl)CC2)c1

DAR-DIA-0cde14eb-62
0.506

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Cc1ccc(CC(=O)Nc2cnccc2C)cc1

JAN-GHE-83b26c96-11
0.500

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Cc1ccncc1NC(=O)CCc1cccc(Cl)c1

ALP-POS-f13221e1-4
0.494

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Cc1ccncc1NC(=O)Cc1ccc2[nH]ccc2c1

VLA-UCB-00f2c2b3-1
0.481

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

MAT-POS-c9973a83-1
0.481

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

RAL-THA-6b94ceba-6
0.481

View
Cc1ccncc1NC(=O)Cc1ccsc1

MIH-UNI-6b9ca91a-1
0.479

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Cc1ccncc1NC(=O)Cc1cnn(C2(C)CC2)c1

DAR-DIA-0cde14eb-61
0.475

View
Cc1ccncc1NC(=O)Cc1cnn(C2(I)CC2)c1

DAR-DIA-0cde14eb-64
0.475

View
Cc1ccncc1NC(=O)CC1(CO)CC1

MAT-POS-590ac91e-6
0.472

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Cc1ccncc1NC(=O)Cc1cc(N2CCCCC2)cc(C2(C)CC2)c1

DAR-DIA-0cde14eb-16
0.471

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Cc1ccncc1NC(=O)CCl

MAK-UNK-6ca90168-26
0.470

View
Cc1ccncc1NC(=O)Cc1ccc2[nH]ncc2c1

VLA-UCB-00f2c2b3-2
0.469

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Cc1ccncc1NC(=O)Cc1cnn(C2(F)CC2)c1

DAR-DIA-0cde14eb-63
0.469

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CNC(=O)c1cc(Cl)cc(CC(=O)Nc2cnccc2C)c1

RAL-THA-6b94ceba-7
0.469

View
Cc1ccncc1NC(=O)CCc1cccc(F)c1

BEN-DND-93268d01-6
0.468

View
Cc1ccncc1NC(=N)Cc1cccc(Cl)c1

EDG-MED-0da5ad92-6
0.461

View
Cc1ccncc1NC(=O)Cc1ccc(S(N)(=O)=O)cc1

GAB-REV-70cc3ca5-20
0.461

View
Cc1ccncc1NC(=O)Cc1cc(Cl)cc(NC23CC(C2)C3)c1

MAT-POS-e501d84c-1
0.459

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

WIL-MOD-03b86a88-3
0.458

View
Cc1ccncc1NC(=O)Cc1ccc2nc[nH]c2c1

GAB-REV-70cc3ca5-18
0.458

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Cc1ccncc1NC(=O)CNC1(c2ccccc2)CCCCC1

WAR-XCH-e55cba98-11
0.458

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

TRY-UNI-2eddb1ff-1
0.456

View
Cc1ccncc1NC(=O)Cc1cc(N2CCCCC2)cc(C2(F)CC2)c1

DAR-DIA-0cde14eb-18
0.456

View
Cc1ccncc1NC(=O)Cc1cc(N2CCCCC2)cc(C2(I)CC2)c1

DAR-DIA-0cde14eb-19
0.456

View
Cc1ccncc1NC(=O)CC1CC2(CC2)C1

MAT-POS-590ac91e-24
0.453

View
Cc1cc(CC(=O)Nc2cnccc2C)[nH]n1

EDJ-MED-c9f55a56-1
0.453

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

DAR-DIA-0cde14eb-74
0.452

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

RAL-THA-6b94ceba-13
0.451

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Cc1ccncc1NC(=O)CCCBr

ALE-HEI-f28a35b5-12
0.451

View
Cc1ccncc1NC(=O)C1(c2cccc(Cl)c2)CC1

EDG-MED-0da5ad92-11
0.450

View
Cc1ccncc1NC(=O)C1(c2cccc(Cl)c2)CC1

JAN-GHE-83b26c96-20
0.450

View
Cc1ccncc1NC(=O)Cc1ccc(Cl)c(OC2CC(=O)N2)c1

RAL-THA-901e9a10-8
0.449

View
Cc1ccncc1NC(=O)CC1(C#N)CCC1

MAT-POS-590ac91e-15
0.447

View
Cc1ccncc1NC(=O)Cc1ccccc1N

ANN-UNI-98d2bf15-1
0.447

View
Cc1ccncc1NC(=O)Cc1cc(Cl)cc(C2COC2)c1

WIL-MOD-03b86a88-2
0.447

View
COC1(CC(=O)Nc2cnccc2C)CC1

MAT-POS-590ac91e-9
0.446

View
CC(=O)NCc1cc(Cl)cc(CC(=O)Nc2cnccc2C)c1

RAL-THA-6b94ceba-5
0.446

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

RAL-THA-6b94ceba-15
0.446

View
Cc1ccncc1NC(=O)Cc1cc(Cl)cc(-c2ccc(C3(C)CCO3)cc2)c1

MAT-POS-f42f3716-5
0.446

View
Cc1ccncc1NC(=O)Cc1cc(Cl)cc(NC2CCC(F)(F)C2O)c1

MAT-POS-044491d2-2
0.444

View
Cc1ccncc1NC(=O)Cc1cc(Cl)cc(OC2COC2)c1

WIL-MOD-03b86a88-4
0.443

View
Cc1ccncc1NC(=O)Cc1cc(Cl)c2c(c1)OCCO2

BAR-COM-0f94fc3d-28
0.442

View
Cc1ccncc1NC(=O)Cc1cc(N2CCCCC2)cc(C2(C#N)CC2)c1

DAR-DIA-0cde14eb-29
0.441

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

WIL-MOD-03b86a88-5
0.440

View
CNS(=O)(=O)c1cc(Cl)cc(CC(=O)Nc2cnccc2C)c1

RAL-THA-6b94ceba-14
0.440

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

RAL-THA-6b94ceba-12
0.440

View
CNS(=O)(=O)Cc1cc(Cl)cc(CC(=O)Nc2cnccc2C)c1

RAL-THA-6b94ceba-16
0.440

View
Cc1nnc(CC(=O)Nc2cnccc2C)s1

ALE-HEI-f28a35b5-3
0.440

View
Cc1ccncc1NC(=O)Cc1cc(Cl)cc(NC2(C)CCC(F)(F)CC2)c1

MAT-POS-044491d2-6
0.440

View
Cc1ccncc1NC(=O)Cc1cc(Cl)cc(-c2ccc(C3CC3(F)F)cc2)c1

MAT-POS-f42f3716-1
0.440

View
Cc1ccncc1NC(=O)CCc1ccccn1

BEN-DND-93268d01-4
0.436

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

WIL-MOD-03b86a88-6
0.435

View
COC(=O)NCc1cc(Cl)cc(CC(=O)Nc2cnccc2C)c1

RAL-THA-6b94ceba-8
0.435

View
Cc1ccncc1NC(=O)CCOC1CC1

MAT-POS-590ac91e-10
0.434

View
Cc1ccncc1NC(=O)Cc1cc(Cl)cc(OC2CC(=O)N2)c1

WIL-MOD-03b86a88-1
0.433

View
Cc1ccncc1NC(=O)Cc1cc(Cl)cc(OC2CC(=O)N2)c1

TRY-UNI-2eddb1ff-7
0.433

View
Cc1ccncc1NC(=O)Cc1cc(Cl)cc(-c2nnc[nH]2)c1

RAL-THA-6b94ceba-10
0.432

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

GAB-REV-70cc3ca5-13
0.430

View
Cc1ccncc1NC(=O)Cc1cc(Cl)cc(-c2ncc[nH]2)c1

RAL-THA-6b94ceba-9
0.430

View
Cc1ccncc1NC(=O)CCc1ccn[nH]1

MAT-POS-590ac91e-17
0.429

View
Cc1ccncc1NC(=O)Cc1ccccc1-c1ccccn1

THO-SYG-cc9e9a11-2
0.429

View
Cc1ccncc1NC(=O)Cc1nc2cccc(C)c2o1

GAB-REV-70cc3ca5-23
0.429

View
Cc1ccncc1NC(=O)CC#N

ASH-SAT-43770c7d-9
0.429

View
Cc1cc(CC(=O)Nc2cnccc2C)cc(OC2CC(=O)N2)c1

RAL-THA-901e9a10-1
0.427

View
Cc1ccncc1NC(=O)CC1(c2cccc(S(N)(=O)=O)c2)CCC1

CHR-SOS-e960e883-6
0.427

View
Cc1ccncc1NC(=O)Cc1cccc(Cl)c1

0.735

View
Cc1cccc(CC(=O)Nc2cnccc2C)c1

0.680

View
Cc1ccncc1NC(=O)Cc1cccc(Br)c1

0.667

View
Cc1ccncc1NC(=O)Cc1cccc(I)c1

0.667

View
Cc1ccncc1NC(=O)Cc1cccc(F)c1

0.654

View
COc1cccc(CC(=O)Nc2cnccc2C)c1

0.642

View
Cc1ccncc1NC(=O)Cc1cccc([N+](=O)[O-])c1

0.636

View
COC(=O)c1cccc(CC(=O)Nc2cnccc2C)c1

0.636

View
Cc1ccncc1NC(=O)Cc1cccc(C2CC2)c1

0.636

View
COCc1cccc(CC(=O)Nc2cnccc2C)c1

0.630

View
Cc1ccncc1NC(=O)Cc1cccnc1

0.620

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

0.618

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

0.618

View
Cc1ccncc1NC(=O)Cc1cccc(OCc2cccc(Cl)c2)c1

0.610

View
Cc1ccc(CC(=O)Nc2cnccc2C)cc1C

0.608

View
Cc1ccncc1NC(=O)Cc1ccc(CC(=O)Nc2cnccc2C)cc1

0.604

View
Cc1ccncc1NC(=O)Cc1ccc(Cl)c(Cl)c1

0.604

View
Cc1cnccc1NC(=O)Cc1cccc(Cl)c1

0.604

View
Cc1ccncc1NC(=O)Cc1c(C)cccc1C

0.600

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

0.596

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

0.596

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

0.596

View
CCCOc1cccc(CC(=O)Nc2cnccc2C)c1

0.596

View
CCS(=O)(=O)c1cccc(CC(=O)Nc2cnccc2C)c1

0.596

View
Cc1ccncc1NC(=O)Cc1c(Cl)cccc1Cl

0.596

View
Cc1ccncc1NC(=O)Cc1ccc2ccccc2c1

0.593

View
Cc1ccncc1NC(=O)Cc1ccncc1

0.592

View
Cc1cc(C)cc(CC(=O)Nc2cnccc2C)c1

0.588

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

0.586

View
Cc1ccncc1NC(=O)Cc1cccc(OCC2CC2)c1

0.583

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

0.582

View
Cc1ccncc1NC(=O)Cc1ccc2c(c1)CCCC2

0.582

View
Cc1ccncc1NC(=O)Cc1ccc2c(c1)CCC2

0.582

View
Cc1ccncc1NC(=O)CCc1cccc(Cl)c1

0.582

View
Cc1ccncc1NC(=O)Cc1ccc(Cl)cc1

0.577

View
Cc1ccncc1NC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1

0.576

View
Cc1ccncc1NC(=O)Cc1cccc(OCc2cccnc2)c1

0.576

View
CNC(=O)COc1cccc(CC(=O)Nc2cnccc2C)c1

0.576

View
COCCOc1cccc(CC(=O)Nc2cnccc2C)c1

0.576

View
Cc1ccncc1NC(=O)C(=O)NC1(Cc2cccc(Cl)c2)CC1

0.576

View
Cc1ccncc1NC(=O)Cc1ccc(F)c(F)c1

0.574

View
Cc1ccc(CC(=O)Nc2cnccc2C)cc1O

0.574

View
Cc1ccncc1NC(=O)Cc1c(C)cccc1Cl

0.574

View
Cc1ccc(CC(=O)Nc2cnccc2C)cc1Br

0.574

View
Cc1ccncc1NC(=O)Cc1cccc(OCc2ccc(Cl)cc2)c1

0.574

View
Cc1ccncc1NC(=O)Cc1cccc(N2CCCC2=O)c1

0.574

View
Cc1ccncc1NC(=O)Cc1ccc2c(c1)OCCO2

0.571

View
Cc1ccncc1NC(=O)Cc1ccc2c(c1)COC2

0.571

View
Cc1ccncc1NC(=O)Cc1ccc(Br)c(Cl)c1

0.571

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

0.569

View
Cc1ccncc1NC(=O)C1(Cc2cccc(Cl)c2)CC1

0.569

View
Cc1ccc(CC(=O)Nc2cnccc2C)cc1

0.569

View
Cc1cc(C)c(CC(=O)Nc2cnccc2C)c(C)c1

0.569

View
Cc1ccncc1NC(=O)Cc1cncnc1

0.569

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

0.567

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

0.567

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

0.567

View
CC(C)=CCOc1cccc(CC(=O)Nc2cnccc2C)c1

0.567

View
Cc1ccncc1NC(=O)Cc1cccc(OCCCOc2ccccc2)c1

0.567

View
Cc1ccncc1NC(=O)NCC1(c2cccc(Cl)c2)CC1

0.567

View
Cc1ccncc1NC(=O)C(=O)NCC1(c2cccc(Cl)c2)CC1

0.567

View
Cc1ccncc1NC(=O)Cc1c(F)cccc1F

0.566

View
Cc1ccncc1NC(=O)CCc1cccc(CCC(=O)Nc2cnccc2C)c1

0.566

View
Cc1cncc(CC(=O)Nc2cnccc2C)c1

0.566

View
COc1cc(CC(=O)Nc2cnccc2C)ccc1C

0.564

View
Cc1ccncc1NC(=O)Cc1ccc2c(c1)OCO2

0.561

View
Cc1ccncc1NC(=O)C1(c2cccc(Cl)c2)CC1

0.561

View
COc1cc(CC(=O)Nc2cnccc2C)ccc1Cl

0.561

View
Cc1ccncc1NC(=O)NC1(Cc2cccc(Cl)c2)CC1

0.559

View
Cc1ccncc1NC(=O)Cc1ccc(O)cc1

0.558

View
CCc1ccc(CC(=O)Nc2cnccc2C)cc1

0.558

View
Cc1ccccc1COc1cccc(CC(=O)Nc2cnccc2C)c1

0.557

View
Cc1ccncc1NC(=O)C(=O)NCC1(c2cccc(Cl)c2)CCCC1

0.557

View
Cc1ccncc1NC(=O)C(=O)NCC1(c2cccc(Cl)c2)CCC1

0.557

View
Cc1ccncc1NC(=O)C(=O)NCC1(Cc2cccc(Cl)c2)CC1

0.557

View
Cc1ccncc1NC(=O)Cc1ccc(-c2ccccc2)cc1

0.556

View
COc1ccc(CC(=O)Nc2cnccc2C)cc1

0.556

View
Cc1ccncc1NC(=O)Cc1cccc(OCc2ccccc2Cl)c1

0.556

View
Cc1ccncc1NC(=O)Cc1cncc(O)c1

0.556

View
Cc1cccc(CC(=O)Nc2ccncc2C)c1

0.556

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

0.554

View
COc1ccc(CC(=O)Nc2cnccc2C)cc1OC

0.554

View
Cc1ccncc1NC(=O)CSCc1cccc(Cl)c1

0.552

View
Cc1ccncc1NC(=O)Cc1ccc2ncsc2c1

0.552

View
Cc1ccncc1NC(=O)C1(Cc2cccc(Cl)c2)CCCC1

0.550

View
Cc1cnccc1CC(=O)Nc1cnccc1C

0.549

View
Cc1ccncc1NC(=O)C(=O)NCC1(c2cccc(Cl)c2)CCCCC1

0.548

View
Cc1ccncc1NC(=O)Cc1ccc(F)cc1

0.547

View
Cc1ccncc1NC(=O)Cc1ccc(Br)cc1

0.547

View
Cc1ccncc1NC(=O)Cc1ccc(I)cc1

0.547

View
Cc1ccncc1NC(=O)Cc1ccc(CN)cc1

0.547

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

0.545

View
Cc1ccncc1NC(=O)CNC(=O)Cc1ccccc1

0.545

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

0.545

View
Cc1ccncc1NC(=O)Cc1cccc(F)c1F

0.545

View
Cc1ccncc1NC(=O)Cc1ccc(-n2cccc2)cc1

0.545

View
Cc1ccncc1NC(=O)Cc1ccc(Cl)nc1

0.545

View
Cc1ccncc1NC(=O)Cc1cccc(C)c1Cl

0.545

View
COc1cccc(OC)c1CC(=O)Nc1cnccc1C

0.545

View
Cc1cnccc1NC(=O)Cc1cccc(Br)c1

0.545

View

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

0.770

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

0.752

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

0.750

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

0.746

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

0.727

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