Molecule Details

CC(=O)Nc1ccc(NCC(=O)Nc2cnccc2C)cc1
Assayed
Molecular Properties
SMILES:
CC(=O)Nc1ccc(NCC(=O)Nc2cnccc2C)cc1
MW: 298.346
Fraction sp3: 0.19
HBA: 4
HBD: 3
Rotatable Bonds: 5
TPSA: 83.12
cLogP: 2.39902
Covalent Warhead:
Covalent Fragment:
Activity Data
Average Inhibition @ 20 µM - Fluorescence: -2.2140825
Average Inhibition @ 50 µM - Fluorescence: -24.270401
Relative Solubility @ 20 µM: 0.96
Relative Solubility @ 100 µM: 0.9
Order Status
Ordered: 2020-03-31
Synthesis Location: enamine
Shipped: 2020-06-24
CC(=O)Nc1cnccc1C

MAK-UNK-6435e6c2-8

View

CC(=O)Nc1cnccc1C

MAK-UNK-6435e6c2-8
0.549

View
CC(=O)Nc1cnccc1C

AAR-POS-d2a4d1df-3
0.549

View
Cc1ccncc1NC(=O)CCl

MAK-UNK-6ca90168-26
0.545

View
Cc1ccncc1NC(=O)CC#N

ASH-SAT-43770c7d-9
0.517

View
Cc1ccncc1NC(=O)CCCBr

ALE-HEI-f28a35b5-12
0.517

View
Cc1nnc(CC(=O)Nc2cnccc2C)s1

ALE-HEI-f28a35b5-3
0.500

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

GAB-REV-70cc3ca5-3
0.500

View
Cc1ccncc1NC(=O)CC1(CO)CC1

MAT-POS-590ac91e-6
0.492

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

MAT-POS-590ac91e-11
0.492

View
Cc1ccncc1NC(=O)CC(O)C1CC1

MAT-POS-590ac91e-7
0.484

View
Cc1ccc(CC(=O)Nc2cnccc2C)cc1

JAN-GHE-83b26c96-11
0.476

View
Cc1ccncc1NC(=O)Cc1ccccc1

TRY-UNI-714a760b-5
0.476

View
Cc1ccncc1NC(=O)CNc1ccnc2ccccc12

GAB-REV-70cc3ca5-4
0.473

View
Cc1ccncc1NC(=O)CNc1c[nH]c2ccccc12

GAB-REV-70cc3ca5-17
0.473

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

EDJ-MED-c9f55a56-1
0.470

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

PET-SGC-6e7c5dc0-1
0.469

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

GAB-REV-70cc3ca5-13
0.464

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

BEN-DND-93268d01-8
0.463

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

MAT-POS-590ac91e-15
0.463

View
Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

EDG-MED-0da5ad92-8
0.463

View
Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

TRY-UNI-2eddb1ff-2
0.463

View
COC1(CC(=O)Nc2cnccc2C)CC1

MAT-POS-590ac91e-9
0.462

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

RAL-THA-6b94ceba-5
0.459

View
Cc1ccncc1NC(=O)CCc1ccccc1F

BEN-DND-93268d01-7
0.457

View
Cc1ccncc1NC(=O)Cc1cccc(CO)c1

EDJ-MED-e58735b6-2
0.456

View
Cc1ccncc1NC(=O)Cc1cccc(Cl)c1

TRY-UNI-714a760b-6
0.456

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Cc1ccncc1NC(=O)Cc1cccc(I)c1

JAN-GHE-83b26c96-13
0.456

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

BEN-DND-93268d01-13
0.456

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

GAB-REV-70cc3ca5-20
0.456

View
Cc1ccncc1NC(=O)CC1CCCCC1

ALE-HEI-f28a35b5-6
0.455

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Cc1ccncc1NC(=O)Cc1ccsc1

MIH-UNI-6b9ca91a-1
0.455

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Cc1ccncc1NC(=O)CC1CCCCC1

TRY-UNI-714a760b-10
0.455

View
Cc1ccncc1NC(=O)CC1CCCCC1

EDG-MED-0da5ad92-4
0.455

View
Cc1ccncc1NC(=O)CC1CC2CC2C1

MAT-POS-590ac91e-23
0.455

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Cc1ccncc1NC(=O)CN1CCCCC1

BEN-DND-93268d01-11
0.455

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Cc1ccncc1NC(=O)CN1CCN(C)CC1

BEN-DND-93268d01-9
0.455

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C=CC(=O)Nc1cnccc1C

MAK-UNK-6ca90168-27
0.448

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Cc1ccncc1NC(=O)CCCCC(N)N

ALE-HEI-f28a35b5-10
0.448

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Cc1ccncc1NC(=O)CN1CCOCC1

BEN-DND-93268d01-10
0.448

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Cc1ccncc1NC(=O)CC1CC2(CC2)C1

MAT-POS-590ac91e-24
0.448

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Cc1ccncc1NC(=O)CCOC1CC1

MAT-POS-590ac91e-10
0.448

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

MAT-POS-590ac91e-13
0.444

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

MAT-POS-590ac91e-1
0.443

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

MAT-POS-590ac91e-2
0.443

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

ERI-UCB-5b47150d-1
0.443

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Cc1ccncc1NC(=O)CCc1ccn[nH]1

MAT-POS-590ac91e-17
0.441

View
Cc1ccncc1NC(=O)Cc1ccccc1N

ANN-UNI-98d2bf15-1
0.441

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

DAR-DIA-0cde14eb-78
0.438

View
Cc1ccncc1NC(=O)Nc1ccccc1

TRY-UNI-714a760b-4
0.438

View
Cc1ccncc1NC(=O)Nc1ccccc1

ALE-HEI-f28a35b5-1
0.438

View
Cc1ccncc1NC(=O)CC12CCCC1C2

MAT-POS-590ac91e-25
0.437

View
Cc1ccncc1NC(=O)Cc1cccc(O)c1

ALP-POS-95b75b4d-2
0.435

View
Cc1ccncc1NC(=O)CCc1ccc(F)cc1

BEN-DND-93268d01-5
0.435

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

DAR-DIA-0cde14eb-76
0.431

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

JAN-GHE-83b26c96-14
0.431

View
Cc1ccncc1NC(=O)CCc1cccc(Cl)c1

ALP-POS-f13221e1-4
0.431

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

ALP-POS-95b75b4d-3
0.431

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CC(C(=O)Nc1cnccc1C)=C1CC1

ERI-UCB-5b47150d-4
0.429

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Cc1ccncc1NC(=O)CCc1ccccn1

BEN-DND-93268d01-4
0.429

View
Cc1ccncc1NC(=O)Cc1cccc(Br)c1

JAN-GHE-83b26c96-12
0.429

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

MAK-UNK-372b0df5-3
0.429

View
Cc1ccncc1NC(=O)Cc1cccc(F)c1

ALP-POS-95b75b4d-1
0.429

View
Cc1ccncc1NC(=O)CN1CCN(C(=O)Nc2ccccc2)CC1

ANU-UNK-2781581f-1
0.423

View
Cc1ccncc1NC(=O)CC(C(=O)Nc1cnccc1C)c1cccc(Cl)c1

MAK-UNK-f203cb68-3
0.423

View
Cc1ccncc1NC(=O)CN1CCN(C(=O)Nc2ccccc2)CC1

RED-SAT-26a928c9-1
0.423

View
Cc1ccncc1NC(=O)CC1CCCNC1

EDG-MED-0da5ad92-9
0.423

View
Cc1ccncc1NC(=O)NCCBr

ALE-HEI-f28a35b5-13
0.422

View
Cc1ccncc1NC(=O)Nc1cccc(Cl)c1

TRY-UNI-714a760b-12
0.420

View
Cc1ccncc1NC(=O)Nc1cccc(Cl)c1

JAG-UCB-cedd89ab-8
0.420

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

MAT-POS-c9973a83-1
0.419

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

DAR-DIA-0cde14eb-79
0.419

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

RAL-THA-6b94ceba-6
0.419

View
Cc1ccncc1NC(=O)CCNc1ccc2[nH]ncc2c1

GAB-REV-70cc3ca5-12
0.418

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

MAT-POS-e501d84c-1
0.418

View
COc1cccc(CC(=O)Nc2cnccc2C)c1

EDJ-MED-e58735b6-1
0.417

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

WIL-MOD-03b86a88-5
0.416

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

WIL-MOD-03b86a88-3
0.416

View
Cc1ccncc1NC(=O)CNC1(c2ccccc2)CCCCC1

WAR-XCH-e55cba98-11
0.416

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

MAT-POS-590ac91e-16
0.415

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

MAT-POS-5d20d11c-1
0.415

View
Cc1ccncc1NC(=O)CCNC(=O)c1ccccc1F

PET-SGC-2e937068-1
0.413

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

PED-UNI-292b67d6-1
0.413

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

TRY-UNI-2eddb1ff-1
0.411

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

ANN-UNI-98d2bf15-2
0.411

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

WIL-MOD-03b86a88-6
0.410

View
Cc1ccncc1NC(=O)Cc1nc2ccccc2[nH]1

GAB-REV-70cc3ca5-9
0.408

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

RAL-THA-6b94ceba-7
0.408

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

RAL-THA-6b94ceba-13
0.408

View
Cc1ccncc1NC(=O)Cc1cc(Cl)cc(NC2C(C(F)(F)F)C2C(F)(F)F)c1

MAT-POS-044491d2-4
0.407

View
Cc1ccncc1NC(=O)CNC(=O)c1nnc2ccccn12

GAB-REV-70cc3ca5-2
0.407

View
Cc1ccncc1NC(=O)C(CO)c1ccccc1

BEN-DND-93268d01-3
0.406

View
Cc1ccncc1NC(=O)CCc1cccc(F)c1

BEN-DND-93268d01-6
0.405

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

TRY-UNI-714a760b-20
0.405

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

WIL-MOD-03b86a88-2
0.405

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

RAL-THA-6b94ceba-9
0.405

View
Cc1ccncc1NC(=O)C(C)(C(=O)Nc1cnccc1C)c1cccc(Cl)c1

MAK-UNK-f203cb68-18
0.403

View
Cc1ccncc1NC(=O)Cc1ccc2[nH]ccc2c1

VLA-UCB-00f2c2b3-1
0.403

View
Cc1ccncc1NC(=O)Cn1ccc2ccc(Cl)cc21

BAR-COM-0f94fc3d-41
0.403

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

RAL-THA-6b94ceba-15
0.403

View
Cc1ccncc1NC(=O)CC(=O)N1CCN(S(=O)(=O)c2ccsc2)CC1

MAK-UNK-7264f48c-3
0.402

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

0.727

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

0.717

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

0.690

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

0.690

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

0.690

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

0.674

View
CC(=O)Nc1ccc(CNc2cnccc2C)cc1

0.667

View
CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cnccc2C)cc1

0.660

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

0.659

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

0.659

View
Cc1ccncc1NC(=O)CNc1c(C)cccc1C

0.644

View
CNCC(=O)Nc1cnccc1C

0.643

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

0.640

View
CCC(=O)NCC(=O)Nc1cnccc1C

0.636

View
Cc1ccncc1NC(=O)CNc1cccc(Cl)c1

0.633

View
Cc1ccc(NC(=O)CSCC(=O)Nc2cnccc2C)cc1

0.630

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

0.625

View
CCNCC(=O)Nc1cnccc1C

0.614

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

0.612

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

0.605

View
Cc1ccncc1NC(=O)CNC(=O)Nc1ccccc1

0.604

View
Cc1ccncc1NC(=O)CNc1ccccc1Cl

0.604

View
Cc1ccncc1NC(=O)CNC(C)(C)C

0.600

View
CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)Nc2ccncc2C)cc1

0.600

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

0.600

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

0.600

View
Cc1ccncc1NC(=O)CNC(C)C

0.600

View
Cc1ccncc1NC(=O)CNc1cccc(C(F)(F)F)c1

0.596

View
CCS(=O)(=O)NCC(=O)Nc1cnccc1C

0.596

View
CC(=O)Nc1ccc(C)c(NC(=O)CNc2ccccc2)c1

0.596

View
Cc1ccncc1NC(=O)CN

0.595

View
Cc1ccncc1NC(=O)CCl

0.595

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

0.592

View
CC(=O)NCc1ccc(NC(=O)C(=O)Nc2cnccc2C)cc1

0.592

View
CC(=O)CCC(=O)Nc1cnccc1C

0.591

View
CSCC(=O)Nc1cnccc1C

0.591

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

0.591

View
Cc1ccc(NC(=O)Nc2cnccc2C)cc1

0.591

View
Cc1ccc(NC(=O)C(=O)Nc2cnccc2C)cc1

0.591

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

0.588

View
CC(=O)NCCC(=O)Nc1cnccc1C

0.587

View
Cc1ccc(SCC(=O)Nc2cnccc2C)cc1

0.587

View
CNC(=O)NCC(=O)Nc1cnccc1C

0.587

View
CC(=O)CSCC(=O)Nc1cnccc1C

0.587

View
Cc1ccncc1NC(=O)CCNc1ccccc1

0.583

View
Cc1ccncc1NC(=O)CNS(=O)(=O)N(C)C

0.583

View
CC(=O)Nc1ccc(C)c(C(=O)Nc2cnccc2C)c1

0.583

View
CC(=O)Nc1ccc(CC(=O)Nc2ccncc2C)cc1

0.583

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

0.581

View
Cc1ccncc1NC(=O)CO

0.581

View
Cc1ccncc1NC(=O)CCCC(=O)Nc1cnccc1C

0.581

View
COCC(=O)Nc1cnccc1C

0.581

View
COc1ccccc1NCC(=O)Nc1cnccc1C

0.580

View
Cc1ccncc1NC(=O)CNc1ccccc1C(N)=O

0.580

View
Cc1cnccc1NC(=O)CNc1ccc(C#N)cc1

0.580

View
CC(=O)Nc1ccc(NC(=O)CNC(C)c2cnccc2C)cc1

0.580

View
Cc1ccncc1NC(=O)NCC(=O)Nc1ccc(Br)cc1

0.580

View
Cc1ccncc1NC(=O)NCC(=O)Nc1ccc(Cl)cc1

0.580

View
Cc1ccncc1NC(=O)NCC(=O)Nc1ccc(F)cc1

0.580

View
Cc1ccncc1NC(=O)NCC(=O)Nc1ccc(I)cc1

0.580

View
Cc1ccncc1NC(=O)CSc1ccncc1

0.578

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

0.578

View
Cc1ccncc1NC(=O)CNC(=O)C(C)(C)C

0.574

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

0.574

View
COC(=O)NCC(=O)Nc1cnccc1C

0.574

View
CCC(=O)Nc1ccc(NC(=O)C(=O)Nc2cnccc2C)cc1

0.574

View
Cc1ccncc1NC(=O)CNC1CC1

0.574

View
Cc1ccncc1NC(=O)CNCC(C)C

0.574

View
Cc1ccncc1NC(=O)CNCCN

0.574

View
CC(=O)NCCCCCC(=O)Nc1cnccc1C

0.571

View
Cc1ccncc1NC(=O)CNC(=O)CCC(C)C

0.571

View
CC(=O)Nc1ccccc1CC(=O)Nc1cnccc1C

0.571

View
Cc1ccncc1NC(=O)NCC(=O)Nc1ccccc1

0.571

View
CC(=O)Nc1ccc(NCCCc2cnccc2C)cc1

0.571

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

0.569

View
Cc1ccncc1NC(=O)CNc1ccccc1[N+](=O)[O-]

0.569

View
Cc1ccncc1NC(=O)C(=O)NCC(=O)Nc1ccc(Br)cc1

0.569

View
Cc1ccncc1NC(=O)C(=O)NCC(=O)Nc1ccc(Cl)cc1

0.569

View
Cc1ccncc1NC(=O)C(=O)NCC(=O)Nc1ccc(F)cc1

0.569

View
Cc1ccncc1NC(=O)C(=O)NCC(=O)Nc1ccc(I)cc1

0.569

View
Cc1ccncc1NC(=O)CCCCCC(=O)Nc1cnccc1C

0.568

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

0.568

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

0.568

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

0.568

View
Cc1ccncc1NC(=O)CN(C)C

0.568

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

0.568

View
Cc1ccncc1NC(=O)CNC1=NS(=O)(=O)c2ccccc21

0.566

View
Cc1ccncc1NC(=O)CCC(C)C

0.565

View
Cc1ccc(CC(=O)Nc2cnccc2C)cc1

0.565

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

0.565

View
CCSCC(=O)Nc1cnccc1C

0.565

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

0.565

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

0.565

View
CC(=O)Nc1ccc(CC(=O)Nc2cnccc2NC(C)=O)cc1

0.562

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

0.562

View
Cc1ccncc1NC(=O)CNCC(F)(F)F

0.562

View
CC(=O)NCCNC(=O)CCC(=O)Nc1cnccc1C

0.562

View
CC(=O)Nc1ccc(CNc2ccncc2C)cc1

0.562

View
CC(=O)Nc1cccc(NC(=O)Nc2cnccc2C)c1

0.562

View
CC(=O)Nc1cc(NC(=O)Nc2cnccc2C)ccc1C

0.562

View

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

0.734

View
N(CC(=O)NC1=CC=CN=C1)(C)C1C=CC=C(NC(C)=O)C=1

0.714

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

0.710

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

0.709

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

0.701

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