Molecule Details

Cc1ccncc1NC(=O)Cc1cnn(C2(I)CC2)c1
3-aminopyridine-like
Molecular Properties
SMILES:
Cc1ccncc1NC(=O)Cc1cnn(C2(I)CC2)c1
MW: 382.03
Fraction sp3: 0.36
HBA: 4
HBD: 1
Rotatable Bonds: 4
TPSA: 59.81
cLogP: 2.65
Covalent Warhead:
Covalent Fragment:

alpha_halo_heteroatom_tert

iodine

Filter9_metal

unacceptable atoms

Alkyl Halide

CC(=O)Nc1cnccc1C

MAK-UNK-6435e6c2-8

View
O=C(Nc1ccccc1)Nc1cccnc1

AAR-POS-d2a4d1df-11

View

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

DAR-DIA-0cde14eb-62
0.746

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

DAR-DIA-0cde14eb-61
0.731

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

DAR-DIA-0cde14eb-63
0.721

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

DAR-DIA-0cde14eb-74
0.690

View
Cc1ccncc1NC(=O)Nc1cnn(C2(I)CC2)c1

DAR-DIA-0cde14eb-68
0.541

View
Cc1ccc(CC(=O)Nc2cnccc2C)cc1

JAN-GHE-83b26c96-11
0.537

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Cc1ccncc1NC(=O)Cc1ccccc1

TRY-UNI-714a760b-5
0.537

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Cc1ccncc1NC(=O)Cc1ccsc1

MIH-UNI-6b9ca91a-1
0.514

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Cc1ccncc1NC(=O)C(C)c1cnn(C2(I)CC2)c1

DAR-DIA-0cde14eb-73
0.513

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

DAR-DIA-0cde14eb-4
0.513

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Cc1ccncc1NC(=O)Cc1cccc(I)c1

JAN-GHE-83b26c96-13
0.493

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

GAB-REV-70cc3ca5-20
0.493

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

RAL-THA-6b94ceba-14
0.487

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

DAR-DIA-0cde14eb-1
0.487

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Cc1ccncc1NC(=O)CC1(CO)CC1

MAT-POS-590ac91e-6
0.486

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

RAL-THA-6b94ceba-13
0.481

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

DAR-DIA-0cde14eb-2
0.481

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Cc1ccncc1NC(=O)Cc1ccccc1N

ANN-UNI-98d2bf15-1
0.479

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Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

TRY-UNI-2eddb1ff-2
0.479

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Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

EDG-MED-0da5ad92-8
0.479

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

DAR-DIA-0cde14eb-3
0.475

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

RAL-THA-6b94ceba-6
0.474

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

DAR-DIA-0cde14eb-78
0.474

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Cc1ccncc1NC(=O)Cc1cccc(Cl)c1

TRY-UNI-714a760b-6
0.473

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Cc1ccncc1NC(=O)Cc1cccc(O)c1

ALP-POS-95b75b4d-2
0.473

View
Cc1ccncc1NC(=O)Cc1cccc(CO)c1

EDJ-MED-e58735b6-2
0.473

View
Cc1nnc(CC(=O)Nc2cnccc2C)s1

ALE-HEI-f28a35b5-3
0.472

View
Cc1ccncc1NC(=O)Cc1cccc(C2CC2)c1

ALP-POS-95b75b4d-4
0.468

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Cc1ccncc1NC(=O)Cc1cccc(F)c1

ALP-POS-95b75b4d-1
0.467

View
Cc1ccncc1NC(=O)Cc1cccc(Br)c1

JAN-GHE-83b26c96-12
0.467

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

DAR-DIA-0cde14eb-19
0.466

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

MAT-POS-f42f3716-1
0.466

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

EDJ-MED-c9f55a56-1
0.466

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Cc1ccncc1NC(=O)CC1CC2(CC2)C1

MAT-POS-590ac91e-24
0.466

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

DAR-DIA-0cde14eb-16
0.465

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Cc1ccncc1NC(=O)CCCBr

ALE-HEI-f28a35b5-12
0.464

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Cc1ccncc1NC(=O)CCl

MAK-UNK-6ca90168-26
0.462

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

TRY-UNI-714a760b-20
0.462

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

MAT-POS-590ac91e-15
0.459

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COC1(CC(=O)Nc2cnccc2C)CC1

MAT-POS-590ac91e-9
0.458

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

DAR-DIA-0cde14eb-14
0.458

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

WIL-MOD-03b86a88-2
0.458

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

RAL-THA-6b94ceba-5
0.457

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

MAT-POS-c9973a83-1
0.456

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

EDJ-MED-e58735b6-3
0.456

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COc1cccc(CC(=O)Nc2cnccc2C)c1

EDJ-MED-e58735b6-1
0.455

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

MAT-POS-e501d84c-1
0.452

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

RAL-THA-6b94ceba-12
0.451

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

ANN-UNI-98d2bf15-5
0.450

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

MAT-POS-044491d2-6
0.449

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

ANN-UNI-98d2bf15-2
0.449

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

DAR-DIA-0cde14eb-76
0.449

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

ALP-POS-95b75b4d-3
0.449

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

TRY-UNI-2eddb1ff-1
0.449

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

JAN-GHE-83b26c96-14
0.449

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Cc1ccncc1NC(=O)CN1CCOCC1

BEN-DND-93268d01-10
0.446

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

RAL-THA-6b94ceba-8
0.446

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

RAL-THA-6b94ceba-7
0.444

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

MAT-POS-590ac91e-11
0.443

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Cc1ccncc1NC(=O)CC#N

ASH-SAT-43770c7d-9
0.441

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

MAT-POS-f42f3716-5
0.440

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

RAL-THA-6b94ceba-15
0.439

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Cc1ccncc1NC(=O)Cc1ccc2[nH]ccc2c1

VLA-UCB-00f2c2b3-1
0.439

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Cc1ccncc1NC(=O)CC(O)C1CC1

MAT-POS-590ac91e-7
0.438

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

MAT-POS-044491d2-2
0.438

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

DAR-DIA-0cde14eb-79
0.438

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

BAR-COM-0f94fc3d-28
0.435

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Cc1ccncc1NC(=O)Cc1cccc(CN2CCOCC2)c1

SAD-SAT-7d5528d9-1
0.435

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Cc1ccncc1NC(=O)CCc1ccc(F)cc1

BEN-DND-93268d01-5
0.434

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

RAL-THA-6b94ceba-16
0.434

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Cc1ccncc1NC(=O)Cc1ccc2nc[nH]c2c1

GAB-REV-70cc3ca5-18
0.434

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

WIL-MOD-03b86a88-3
0.434

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

WIL-MOD-03b86a88-5
0.434

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

DAR-DIA-0cde14eb-17
0.433

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

DAR-DIA-0cde14eb-18
0.433

View
Cc1ccncc1NC(=O)CN1CCN(C)CC1

BEN-DND-93268d01-9
0.432

View
Cc1ccncc1NC(=O)CC1CC2CC2C1

MAT-POS-590ac91e-23
0.432

View
Cc1ccncc1NC(=O)CN1CCCCC1

BEN-DND-93268d01-11
0.432

View
Cc1ccncc1NC(=O)Cc1cc(Cl)cc(-c2ccc(C)c(F)c2F)c1

MAT-POS-f42f3716-6
0.432

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

WIL-MOD-03b86a88-6
0.429

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

EDJ-MED-e58735b6-4
0.429

View
Cc1ccncc1NC(=O)Cc1ccc2[nH]ncc2c1

VLA-UCB-00f2c2b3-2
0.427

View
Cc1ccncc1NC(=O)CCOC1CC1

MAT-POS-590ac91e-10
0.427

View
Cc1ccncc1NC(=O)Nc1cnn(C2(C)CC2)c1

DAR-DIA-0cde14eb-65
0.425

View
Cc1ccncc1NC(=O)CCCCC(=N)N

PET-SGC-6e7c5dc0-1
0.425

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

RAL-THA-6b94ceba-9
0.424

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

DAR-DIA-0cde14eb-77
0.422

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Cc1ccncc1NC(=O)Cc1ccccc1-c1ccccn1

THO-SYG-cc9e9a11-2
0.422

View
Cc1ccncc1NC(=O)CCc1ccn[nH]1

MAT-POS-590ac91e-17
0.421

View
CC(=O)N1CCN(CC(=O)Nc2cnccc2C)CC1

BEN-DND-93268d01-8
0.421

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

WIL-MOD-03b86a88-4
0.420

View
Cc1ccncc1NC(=O)Nc1cnn(C2(Cl)CC2)c1

DAR-DIA-0cde14eb-66
0.420

View
Cc1ccncc1NC(=O)Nc1cnn(C2(F)CC2)c1

DAR-DIA-0cde14eb-67
0.420

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

DAR-DIA-0cde14eb-29
0.419

View
Cc1ccncc1NC(=O)Cc1cc(Cl)cc(-c2cnc[nH]2)c1

RAL-THA-6b94ceba-11
0.419

View
Cc1ccncc1NC(=O)CCc1ccccc1F

BEN-DND-93268d01-7
0.418

View
Cc1ccncc1NC(=O)CC12CCCC1C2

MAT-POS-590ac91e-25
0.418

View
COc1ccc(-c2csc(CC(=O)Nc3cnccc3C)n2)cc1

GAB-REV-70cc3ca5-15
0.417

View
Cc1ccncc1NC(=O)Cc1cc(Cl)cc(NC2CC2C(F)(F)F)c1

MAT-POS-044491d2-3
0.416

View
CCc1cc(CC(=O)Nc2cnccc2C)cc(OC2CC(=O)N2)c1

RAL-THA-901e9a10-6
0.416

View
Cc1ccncc1NC(=O)Cc1cnn(C)c1

0.660

View
CCn1cc(CC(=O)Nc2cnccc2C)cn1

0.635

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

0.617

View
Cc1ccncc1NC(=O)Cc1cnn(-c2ccccc2)c1

0.611

View
Cc1ccncc1NC(=O)Cc1ccncc1

0.604

View
Cc1ccncc1NC(=O)Cc1ccoc1

0.596

View
Cc1ccncc1NC(=O)Cc1ccc(I)cc1

0.588

View
Cc1ccc(CC(=O)Nc2cnccc2C)cc1

0.580

View
Cc1ccncc1NC(=O)Cc1cncnc1

0.580

View
Cc1ccncc1NC(=O)Cc1ccc(O)cc1

0.569

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

0.569

View
Cc1ccncc1NC(=O)Cc1cccnc1

0.569

View
CCc1ccc(CC(=O)Nc2cnccc2C)cc1

0.569

View
COc1ccc(CC(=O)Nc2cnccc2C)cc1

0.566

View
Cc1ccncc1NC(=O)Cc1ccc(Cl)cc1

0.558

View
Cc1ccncc1NC(=O)Cc1ccc(F)cc1

0.558

View
Cc1ccncc1NC(=O)Cc1ccc(Br)cc1

0.558

View
Cc1ccc(CC(=O)Nc2cnccc2C)cc1C

0.558

View
Cc1ccncc1NC(=O)Cc1ccc(CN)cc1

0.558

View
Cc1ccncc1NC(=O)Cc1cccc(Br)c1

0.556

View
Cc1ccncc1NC(=O)Cc1cccc(I)c1

0.556

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

0.549

View
Cc1ccncc1NC(=O)Cc1c(C)cccc1C

0.549

View
Cc1ccncc1NC(=O)Cc1ccsc1

0.547

View
CC(=O)c1ccc(CC(=O)Nc2cnccc2C)cc1

0.547

View
Cc1ccc(CC(=O)Nc2cnccc2C)cn1

0.547

View
CCCc1ccc(CC(=O)Nc2cnccc2C)cc1

0.547

View
Cc1cncc(CC(=O)Nc2cnccc2C)c1

0.547

View
CCOc1ccc(CC(=O)Nc2cnccc2C)cc1

0.545

View
Cc1ccncc1NC(=O)CC1(C)CC1

0.538

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

0.537

View
CC(=O)Nc1ccc(CC(=O)Nc2cnccc2C)cc1

0.537

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

0.537

View
Cc1cccc(CC(=O)Nc2cnccc2C)c1

0.537

View
Cc1ccncc1NC(=O)Cc1ccc(C(C)(C)C)cc1

0.537

View
Cc1ccncc1NC(=O)Cc1ccc(C#N)cc1

0.537

View
Cc1ccncc1NC(=O)Cc1cncc(O)c1

0.537

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

0.537

View
Cc1ccncc1NC(=O)Cc1ccc([Si](C)(C)C)cc1

0.537

View
Cc1cnccc1NC(=O)Cc1cnn(C)c1

0.537

View
Cc1ccncc1NC(=O)Cc1ccc2c(c1)CCCC2

0.536

View
Cc1ccncc1NC(=O)Cc1ccc2c(c1)CCC2

0.536

View
Cc1ccncc1NC(=O)Cc1ccc(OC(F)(F)F)cc1

0.536

View
Cc1cnccc1CC(=O)Nc1cnccc1C

0.529

View
Cc1ccncc1NC(=O)CC1(CC(=O)Nc2cnccc2C)CCCC1

0.528

View
Cc1ccncc1NC(=O)CCC1(CCC(=O)Nc2cnccc2C)CC1

0.528

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

0.527

View
CCCCc1ccc(CC(=O)Nc2cnccc2C)cc1

0.527

View
Cc1ccncc1NC(=O)Cc1ccc(C(F)(F)F)cc1

0.527

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

0.527

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

0.527

View
Cc1ccncc1NC(=O)Cc1cccc(Cl)c1

0.527

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

0.527

View
Cc1ccncc1NC(=O)Cc1ccc(Cl)nc1

0.527

View
Cc1ccc(CC(=O)Nc2cnccc2C)cc1O

0.527

View
Cc1ccncc1NC(=O)Cc1ccc(C(F)F)cc1

0.527

View
CCSc1ccc(CC(=O)Nc2cnccc2C)cc1

0.527

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

0.527

View
Cc1ccc(CC(=O)Nc2cnccc2C)cc1Br

0.527

View
Cc1ccncc1NC(=O)Cc1ccc2c(c1)OCCO2

0.526

View
Cc1ccncc1NC(=O)Cc1ccc(OC(F)F)cc1

0.526

View
Cc1ccncc1NC(=O)Cc1ccc(-n2cccn2)cc1

0.526

View
Cc1ccncc1NC(=O)Cc1ccc(OCC(C)C)cc1

0.526

View
Cc1ccncc1NC(=O)Cc1ccc2c(c1)COC2

0.526

View
Cc1ccncc1NC(=O)CC1(CC(=O)Nc2cnccc2C)CCCCC1

0.519

View
Cc1ccncc1NC(=O)Cc1c(Cl)cccc1Cl

0.519

View
Cc1ccncc1NC(=O)Cc1c(F)cccc1F

0.519

View
Cc1ccncc1NC(=O)CCC1(C)CC1

0.519

View
Cc1ccncc1NC(=O)CC1(C)CCCC1

0.519

View
Cc1ccncc1NC(=O)Cc1cncn1C

0.519

View
Cc1ccc(CC(=O)Nc2cnccc2C)o1

0.519

View
Cc1ccncc1NC(=O)Cc1ccnn1C

0.519

View
Cc1ccncc1NC(=O)Cc1ccc([N+](=O)[O-])cc1

0.518

View
Cc1ccncc1NC(=O)Cc1cccc(F)c1

0.518

View
Cc1ccncc1NC(=O)Cc1ccc2ccccc2c1

0.518

View
COc1cc(CC(=O)Nc2cnccc2C)ccc1C

0.518

View
Cc1ccncc1NC(=O)CCc1cnn(C)c1

0.518

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

0.518

View
Cc1ccncc1NC(=O)CC1(C(=O)Nc2cnccc2C)CCCCC1

0.518

View
CNS(=O)(=O)c1ccc(CC(=O)Nc2cnccc2C)cc1

0.518

View
Cc1ccncc1NC(=O)Cc1ccc(-n2cnnc2)cc1

0.518

View
Cc1ccncc1NC(=O)CC1(CO)CCC1

0.518

View
CCn1cc(CC(=O)Nc2ccncc2C)cn1

0.518

View
Cc1ccncc1NC(=O)Cc1ccc2c(c1)OCO2

0.517

View
Cc1ccncc1NC(=O)Cc1ccc(NC(=O)C2CC2)cc1

0.517

View
Cc1ccncc1NC(=O)Cc1ccc2[nH]ncc2c1

0.517

View
Cc1ccncc1NC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1

0.517

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Cc1ccncc1NC(=O)Cc1ccc2cn[nH]c2c1

0.517

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COCCOc1ccc(CC(=O)Nc2cnccc2C)cc1

0.517

View
Cc1cnccc1NC(=O)Cc1cnn(-c2ccccc2)c1

0.517

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CCCCCCOc1ccc(CC(=O)Nc2cnccc2C)cc1

0.517

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Cc1ccncc1NC(=O)CN

0.510

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Cc1ccncc1NC(=O)CCl

0.510

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Cc1ccncc1NC(=O)CCN

0.510

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Cc1ccccc1CC(=O)Nc1cnccc1C

0.509

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Cc1ccncc1NC(=O)Cc1cnccc1Cl

0.509

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Cc1ccncc1NC(=O)Cc1c(C)n[nH]c1C

0.509

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Cc1ccncc1NC(=O)Cc1ccccc1I

0.509

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Cc1ccncc1NC(=O)Cc1ccccc1Br

0.509

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Cc1ccncc1NC(=O)CC1(O)CCCC1

0.509

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

0.730

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