Molecule Details

Cc1ccncc1NC(=O)CC#N
Enamine Mcule MolPort
Molecular Properties
SMILES:
Cc1ccncc1NC(=O)CC#N
MW: 175.07
Fraction sp3: 0.22
HBA: 3
HBD: 1
Rotatable Bonds: 2
TPSA: 65.78
cLogP: 1.24
Covalent Warhead:
Covalent Fragment:
Source
Enamine REAL: s_22____3391102____8794444
Mcule: MCULE-8297534553
Mcule Ultimate: WATZTSGALSEMMQ-UHFFFAOYSA-N
MolPort: MolPort-011-131-440
CC(=O)NCCc1c[nH]c2ccc(F)cc12

AAR-POS-d2a4d1df-2

View

Cc1ccncc1NC(=O)CCl

MAK-UNK-6ca90168-26
0.638

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

MAT-POS-590ac91e-15
0.579

View
CC(=O)Nc1cnccc1C

MAK-UNK-6435e6c2-8
0.578

View
CC(=O)Nc1cnccc1C

AAR-POS-d2a4d1df-3
0.578

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

MAT-POS-590ac91e-11
0.566

View
Cc1ccncc1NC(=O)CCCBr

ALE-HEI-f28a35b5-12
0.566

View
Cc1ccncc1NC(=O)Cc1ccccc1

TRY-UNI-714a760b-5
0.545

View
Cc1ccc(CC(=O)Nc2cnccc2C)cc1

JAN-GHE-83b26c96-11
0.545

View
Cc1ccncc1NC(=O)Cc1ccsc1

MIH-UNI-6b9ca91a-1
0.544

View
Cc1ccncc1NC(=O)CC(C)(C)c1ccccc1

BEN-DND-93268d01-13
0.542

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

PET-SGC-6e7c5dc0-1
0.536

View
Cc1ccncc1NC(=O)CC1(CO)CC1

MAT-POS-590ac91e-6
0.536

View
Cc1ccncc1NC(=O)C(C#N)CC1CC1

MAT-POS-590ac91e-14
0.533

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

TRY-UNI-2eddb1ff-1
0.532

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Cc1ccncc1NC(=O)CC(O)C1CC1

MAT-POS-590ac91e-7
0.526

View
COC1(CC(=O)Nc2cnccc2C)CC1

MAT-POS-590ac91e-9
0.526

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Cc1ccncc1NC(=O)CCc1ccn[nH]1

MAT-POS-590ac91e-17
0.525

View
Cc1ccncc1NC(=O)Cc1ccccc1N

ANN-UNI-98d2bf15-1
0.525

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

BEN-DND-93268d01-8
0.525

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

TRY-UNI-714a760b-20
0.524

View
C=CC(=O)Nc1cnccc1C

MAK-UNK-6ca90168-27
0.520

View
Cc1ccncc1NC(=O)CN1CCCCC1

BEN-DND-93268d01-11
0.517

View
Cc1ccncc1NC(=O)CC1CCCCC1

TRY-UNI-714a760b-10
0.517

View
Cc1ccncc1NC(=O)CN1CCN(C)CC1

BEN-DND-93268d01-9
0.517

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Cc1ccncc1NC(=O)CC1CCCCC1

EDG-MED-0da5ad92-4
0.517

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

GAB-REV-70cc3ca5-21
0.517

View
Cc1ccncc1NC(=O)CC1CC2CC2C1

MAT-POS-590ac91e-23
0.517

View
Cc1nnc(CC(=O)Nc2cnccc2C)s1

ALE-HEI-f28a35b5-3
0.517

View
Cc1ccncc1NC(=O)CC1CCCCC1

ALE-HEI-f28a35b5-6
0.517

View
Cc1ccncc1NC(=O)Cc1cccc(O)c1

ALP-POS-95b75b4d-2
0.517

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

GAB-REV-70cc3ca5-20
0.517

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CO[C@H](C)C(=O)Nc1cnccc1C

ERI-UCB-5b47150d-1
0.509

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CO[C@@H](C)C(=O)Nc1cnccc1C

MAT-POS-590ac91e-2
0.509

View
CO[C@H](C)C(=O)Nc1cnccc1C

MAT-POS-590ac91e-1
0.509

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Cc1ccncc1NC(=O)NCCBr

ALE-HEI-f28a35b5-13
0.509

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

EDJ-MED-c9f55a56-1
0.508

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Cc1ccncc1NC(=O)CN1CCOCC1

BEN-DND-93268d01-10
0.508

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Cc1ccncc1NC(=O)CC1CC2(CC2)C1

MAT-POS-590ac91e-24
0.508

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Cc1ccncc1NC(=O)CCOC1CC1

MAT-POS-590ac91e-10
0.508

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Cc1ccncc1NC(=O)CCCCC(N)N

ALE-HEI-f28a35b5-10
0.508

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Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

EDG-MED-0da5ad92-8
0.500

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Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

TRY-UNI-2eddb1ff-2
0.500

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Cc1ccncc1NC(=O)Nc1ccccc1

TRY-UNI-714a760b-4
0.500

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Cc1ccncc1NC(=O)Nc1ccccc1

ALE-HEI-f28a35b5-1
0.500

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Cc1ccncc1NC(=O)CCc1ccccc1F

BEN-DND-93268d01-7
0.492

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Cc1ccncc1NC(=O)Cc1cccc(Cl)c1

TRY-UNI-714a760b-6
0.492

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Cc1ccncc1NC(=O)CCc1ccc(F)cc1

BEN-DND-93268d01-5
0.492

View
Cc1ccncc1NC(=O)Cc1cccc(CO)c1

EDJ-MED-e58735b6-2
0.492

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Cc1ccncc1NC(=O)Cc1cccc(I)c1

JAN-GHE-83b26c96-13
0.492

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CC(C(=O)Nc1cnccc1C)=C1CC1

ERI-UCB-5b47150d-4
0.491

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

TRY-UNI-1fd04853-1
0.485

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

GAB-REV-70cc3ca5-19
0.485

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

PET-SGC-175e168c-1
0.485

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Cc1ccncc1NC(=O)COC(=O)c1ccc(S(N)(=O)=O)cc1

PED-UNI-292b67d6-1
0.485

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

JAN-GHE-83b26c96-14
0.484

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

ANN-UNI-98d2bf15-2
0.484

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

ALP-POS-95b75b4d-3
0.484

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

DAR-DIA-0cde14eb-76
0.484

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Cc1ccncc1NC(=O)CCc1ccccn1

BEN-DND-93268d01-4
0.484

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Cc1ccncc1NC(=O)Cc1cccc(F)c1

ALP-POS-95b75b4d-1
0.484

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Cc1ccncc1NC(=O)CCSCCS(C)(=O)=O

MAK-UNK-372b0df5-3
0.484

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Cc1ccncc1NC(=O)Cc1cccc(Br)c1

JAN-GHE-83b26c96-12
0.484

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Cc1ccncc1NC(=O)[C@H]1C[C@](O)(C#N)C1

MAT-POS-590ac91e-26
0.483

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CC(=O)N[C@@H](C)C(=O)Nc1cnccc1C

MAT-POS-590ac91e-13
0.482

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

DAR-DIA-0cde14eb-74
0.478

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Cc1ccncc1NC(=O)Nc1cncc(C#N)c1

CHR-SOS-363cfb78-2
0.476

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Cc1ccncc1NC(=O)CC1CCCNC1

EDG-MED-0da5ad92-9
0.476

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Cc1ccncc1NC(=O)CNC(=O)Cc1cccnc1

GAB-REV-70cc3ca5-13
0.476

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Cc1ccncc1NC(=O)C(C)CC1CC1

MAT-POS-590ac91e-5
0.475

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Cc1ccncc1NC(=O)[C@H](C)OC(F)F

MAT-POS-590ac91e-16
0.474

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Cc1ccncc1NC(=O)[C@@H](C)OC(F)F

MAT-POS-5d20d11c-1
0.474

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

DAR-DIA-0cde14eb-14
0.471

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

DAR-DIA-0cde14eb-77
0.471

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Cc1ccncc1NC(=O)Cc1ccccc1-c1ccccn1

THO-SYG-cc9e9a11-2
0.471

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

DAR-DIA-0cde14eb-79
0.470

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

RAL-THA-6b94ceba-6
0.470

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

EDJ-MED-e58735b6-3
0.470

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Cc1ccncc1NC(=O)CCNc1ccc(S(N)(=O)=O)cc1

GAB-REV-70cc3ca5-3
0.470

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COc1cccc(CC(=O)Nc2cnccc2C)c1

EDJ-MED-e58735b6-1
0.469

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Cc1ccncc1NC(=O)Nc1cccc(C#N)c1

TRY-UNI-714a760b-24
0.469

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Cc1ccncc1NC(=O)CC12CCCC1C2

MAT-POS-590ac91e-25
0.469

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Cc1ccncc1NC(=O)Cc1cccc(C2CC2)c1

ALP-POS-95b75b4d-4
0.463

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Cc1ccncc1NC(=O)CCc1cccc(Cl)c1

ALP-POS-f13221e1-4
0.462

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Cc1ccncc1NC(=O)C1(C#N)CCOC1

MAT-POS-590ac91e-27
0.460

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Cc1ccncc1NC(=O)C(CO)c1ccccc1

BEN-DND-93268d01-3
0.459

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Cc1ccncc1NC(=O)C1CC(C2CC2)C1

MAT-POS-590ac91e-18
0.458

View
Cc1ccncc1NC(=O)Cc1ccccc1Cc1ccccn1

THO-SYG-cc9e9a11-1
0.456

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

DAR-DIA-0cde14eb-2
0.456

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

RAL-THA-6b94ceba-7
0.456

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

RAL-THA-6b94ceba-13
0.456

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CCNc1ncc(C#N)cc1NC(=O)Nc1cnccc1C

TRY-UNI-1fd04853-2
0.456

View
Cc1ccncc1NC(=O)CCc1cccc(F)c1

BEN-DND-93268d01-6
0.455

View
Cc1ccncc1NC(=O)Cc1cc(C#N)ccc1-c1ccccn1

THO-SYG-cc9e9a11-4
0.453

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Cc1ccncc1NC(=O)NCCCC(N)N

ALE-HEI-f28a35b5-11
0.452

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Cc1ccncc1NC(=O)Cc1cccc2c1CNCC2

ADA-UCB-6c2cb422-4
0.451

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Cc1ccncc1NC(=O)[C@@H]1C[C@H]1CF

ERI-UCB-5b47150d-6
0.450

View
Cc1ccncc1NC(=O)C(C)c1ccccc1

TRY-UNI-714a760b-17
0.450

View
Cc1ccncc1NC(=O)C(C)c1ccccc1

AHN-SAT-202241f6-1
0.450

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Cc1ccncc1NC(=O)NC1CCCCC1

TRY-UNI-714a760b-11
0.450

View
Cc1ccncc1NC(=O)NC1CCCCC1

ALE-HEI-f28a35b5-7
0.450

View
Cc1ccncc1NC(=O)CN

0.722

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Cc1ccncc1NC(=O)CCCC#N

0.707

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N#CCC(=O)Nc1cnccc1O

0.692

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Cc1ccncc1NC(=O)CSCC#N

0.690

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Cc1ccncc1NC(=O)CCCCC#N

0.690

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N#CCC(=O)Nc1ccncc1I

0.684

View
COc1ccncc1NC(=O)CC#N

0.683

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CSc1ccncc1NC(=O)CC#N

0.683

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Cc1ccncc1NC(=O)CCl

0.676

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Cc1ccncc1NC(=O)CCCCCC#N

0.674

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Cc1ccncc1NC(=O)CC(C)(C)C#N

0.667

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CC(C)(C)Oc1ccncc1NC(=O)CC#N

0.667

View
Cc1ccncc1NC(=O)CCCCC(=O)Nc1cnccc1C

0.658

View
Cc1ccncc1NC(=O)CO

0.658

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Cc1ccncc1NC(=O)CCCC(=O)Nc1cnccc1C

0.658

View
COCC(=O)Nc1cnccc1C

0.658

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

0.651

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Cc1ccc(-c2ccncc2)cc1NC(=O)CC#N

0.651

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CCC(CC)Nc1ccncc1NC(=O)CC#N

0.651

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N#CCC(=O)Nc1ccc(NC(=O)CC#N)c2cnccc12

0.650

View
Cc1ccncc1NC(=O)Cc1ccccc1CC#N

0.644

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Cc1nccn1-c1ccncc1NC(=O)CC#N

0.644

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Cc1ccncc1NC(=O)CCCCCC(=O)Nc1cnccc1C

0.641

View
Cc1ccncc1NC(=O)CCCCCCC(=O)Nc1cnccc1C

0.641

View
Cc1ccncc1NC(=O)CSCC(=O)Nc1cnccc1C

0.641

View
Cc1ccncc1NC(=O)COCC(=O)Nc1cnccc1C

0.641

View
Cc1ccncc1NC(=O)CCCCCCCC(=O)Nc1cnccc1C

0.641

View
Cc1ccncc1NC(=O)CN(C)C

0.641

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

0.641

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CNCC(=O)Nc1cnccc1C

0.641

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Cc1ccncc1NC(=O)c1ccc(CC#N)cc1

0.636

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

0.636

View
Cc1ccncc1NC(=O)NCC(=O)NCC#N

0.636

View
Cc1ccncc1NC(=O)CNC(=O)CN

0.634

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Cc1ccncc1NC(=O)CC(CC#N)c1ccccc1

0.630

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Cc1ccc(-c2cccnc2)cc1NC(=O)CC#N

0.630

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Cc1ccncc1NC(=O)C(C)(C)CC#N

0.628

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Cc1ccncc1NC(=O)NCCC#N

0.628

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Cc1ccncc1NC(=O)CC(C)C

0.625

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CC(=O)CCC(=O)Nc1cnccc1C

0.625

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

0.625

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CSCC(=O)Nc1cnccc1C

0.625

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Cc1ccncc1NC(=O)Cc1ccncc1

0.625

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Cc1ccncc1NC(=O)CC(C)CC(=O)Nc1cnccc1C

0.625

View
Cc1ccncc1NC(=O)CS(=O)(=O)CC(=O)Nc1cnccc1C

0.625

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CNC(=O)CCC(=O)Nc1cnccc1C

0.625

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Cc1ccncc1NC(=O)CCN

0.625

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Cc1ccncc1NC(=O)CSc1ccc(C#N)cc1

0.622

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C#CCCC(=O)Nc1cnccc1C

0.619

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Cc1ccncc1NC(=O)c1cnccc1C#N

0.619

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N#CCC(=O)Nc1ccnc2ccncc12

0.619

View
Cc1ccncc1NC(=O)CNC(=O)c1ccc(C#N)cc1

0.617

View
Cc1ccncc1NC(=O)C(C)(C)CCC#N

0.614

View
Cc1ccncc1NC(=O)C(=O)NCCC#N

0.614

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CCCCC(=O)Nc1cnccc1C

0.610

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CC(=O)NCC(=O)Nc1cnccc1C

0.610

View
Cc1ccncc1NC(=O)COCCOCC(=O)Nc1cnccc1C

0.610

View
Cc1ccncc1NC(=O)CSc1ccncc1

0.610

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Cc1ccncc1NC(=O)CCSCCC(=O)Nc1cnccc1C

0.610

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Cc1ccncc1NC(=O)CC(F)(F)F

0.610

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Cc1ccncc1NC(=O)CCC(N)=O

0.610

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Cc1ccncc1NC(=O)CS(C)(=O)=O

0.610

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CCN(CC)CC(=O)Nc1cnccc1C

0.610

View
Cc1ccncc1NC(=O)CCOCCC(=O)Nc1cnccc1C

0.610

View
Cc1ccncc1NC(=O)CC(O)CC(=O)Nc1cnccc1C

0.610

View
Cc1cnccc1CC(=O)Nc1cnccc1C

0.610

View
Cc1ccncc1NC(=O)CON

0.610

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CNCCC(=O)Nc1cnccc1C

0.610

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CCNCC(=O)Nc1cnccc1C

0.610

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Cc1ccncc1NC(=O)CCc1ccc(C#N)cc1

0.609

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Cc1ccncc1NC(=O)CNc1ccc(C#N)cc1

0.609

View
Cc1ccncc1NC(=O)CCCC(=O)Nc1ccccc1C#N

0.609

View
CN1CCN(c2ccncc2NC(=O)CC#N)CC1

0.609

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Cc1ccncc1NC(=O)c1ccc(C#N)cc1

0.605

View
Cc1ccncc1NC(=O)CNC(=O)c1ccncc1

0.605

View
CCC(C#N)C(=O)Nc1cnccc1C

0.605

View
Cc1ccncc1NC(=O)CC(C)c1ccncc1

0.605

View
Cc1ccncc1NC(=O)c1cnn(CCC#N)c1C

0.604

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Cc1ccncc1NC(=O)Cc1ccc(OCC#N)cc1

0.604

View
Cc1ccc(C)c(NC(=O)CC#N)c1

0.600

View
Cc1ccncc1NC(=O)N(C)CCC#N

0.600

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Cc1ccncc1NC(=O)NC(C)CC#N

0.600

View
Cc1ccncc1NC(=O)NCCCC#N

0.600

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Cc1ccncc1NC(=O)COc1ccc(C#N)cc1

0.596

View
Cc1ccncc1NC(=O)CC1(C#N)CCCCC1

0.596

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Cc1ccncc1NC(=O)Cc1noc(C)c1C#N

0.596

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CCCCCC(=O)Nc1cnccc1C

0.595

View
CCOCC(=O)Nc1cnccc1C

0.595

View
COC(=O)CC(=O)Nc1cnccc1C

0.595

View
CSCCC(=O)Nc1cnccc1C

0.595

View
Cc1ccncc1NC(=O)CCC(C)C

0.595

View
Cc1ccc(CC(=O)Nc2cnccc2C)cc1

0.595

View
CC(=O)CCCC(=O)Nc1cnccc1C

0.595

View
COCCC(=O)Nc1cnccc1C

0.595

View
Cc1ccncc1NC(=O)CC1CC1

0.595

View
CCSCC(=O)Nc1cnccc1C

0.595

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

0.595

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

0.595

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CCC(=O)NCC(=O)Nc1cnccc1C

0.595

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CC(=O)NCC(=O)NCC(=O)Nc1cnccc1C

0.595

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

1.000

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

0.958

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

0.912

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

0.903

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

0.903

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