Molecule Details

Molecular Properties
SMILES:
Cc1ccncc1NC(=O)CNC(=O)Cc1cccnc1
MW: 284.319
Fraction sp3: 0.2
HBA: 4
HBD: 2
Rotatable Bonds: 5
TPSA: 83.98
cLogP: 1.08242
Covalent Warhead:
Covalent Fragment:
Source
Enamine SCR: Z4444622117
Activity Data
Average Inhibition @ 20 µM - Fluorescence: 8.039427
Average Inhibition @ 50 µM - Fluorescence: -15.3538
Relative Solubility @ 20 µM: 1.0
Relative Solubility @ 100 µM: 1.0
Order Status
Ordered: 2020-03-31
Synthesis Location: enamine
Shipped: 2020-05-13

Dipeptide

Cc1ccncc1NC(=O)Cc1ccccc1

TRY-UNI-714a760b-5
0.531

View
Cc1ccncc1NC(=O)CCl

MAK-UNK-6ca90168-26
0.500

View
Cc1ccncc1NC(=O)Cc1cccc(Cl)c1

TRY-UNI-714a760b-6
0.486

View
Cc1ccncc1NC(=O)Cc1cccc(I)c1

JAN-GHE-83b26c96-13
0.486

View
Cc1ccncc1NC(=O)Cc1cccc(O)c1

ALP-POS-95b75b4d-2
0.486

View
Cc1ccncc1NC(=O)Cc1cccc(CO)c1

EDJ-MED-e58735b6-2
0.486

View
Cc1ccc(CC(=O)Nc2cnccc2C)cc1

JAN-GHE-83b26c96-11
0.485

View
Cc1ccncc1NC(=O)Cc1cccc(F)c1

ALP-POS-95b75b4d-1
0.479

View
Cc1ccncc1NC(=O)Cc1cccc(Br)c1

JAN-GHE-83b26c96-12
0.479

View
Cc1ccncc1NC(=O)CC#N

ASH-SAT-43770c7d-9
0.476

View
Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

EDG-MED-0da5ad92-8
0.471

View
Cc1ccncc1NC(=O)Cc1ccccc1N

ANN-UNI-98d2bf15-1
0.471

View
Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

TRY-UNI-2eddb1ff-2
0.471

View
Cc1ccncc1NC(=O)CNC(=O)c1ccc2nc[nH]c2c1

GAB-REV-70cc3ca5-5
0.469

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

GAB-REV-70cc3ca5-2
0.469

View
COc1cccc(CC(=O)Nc2cnccc2C)c1

EDJ-MED-e58735b6-1
0.466

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

GAB-REV-70cc3ca5-20
0.465

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

GAB-REV-70cc3ca5-21
0.464

View
Cc1ccncc1NC(=O)Cc1ccsc1

MIH-UNI-6b9ca91a-1
0.464

View
Cc1nnc(CC(=O)Nc2cnccc2C)s1

ALE-HEI-f28a35b5-3
0.464

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

ANN-UNI-98d2bf15-2
0.459

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

JAN-GHE-83b26c96-14
0.459

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

DAR-DIA-0cde14eb-76
0.459

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

ALP-POS-95b75b4d-3
0.459

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

EDJ-MED-c9f55a56-1
0.457

View
Cc1ccncc1NC(=O)CCCBr

ALE-HEI-f28a35b5-12
0.455

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

MAT-POS-590ac91e-11
0.455

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

TRY-UNI-714a760b-20
0.453

View
CC(=O)Nc1cnccc1C

AAR-POS-d2a4d1df-3
0.448

View
CC(=O)Nc1cnccc1C

MAK-UNK-6435e6c2-8
0.448

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

DAR-DIA-0cde14eb-78
0.447

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

DAR-DIA-0cde14eb-79
0.447

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

EDJ-MED-e58735b6-3
0.447

View
Cc1ccncc1NC(=O)Cc1cccc(C2CC2)c1

ALP-POS-95b75b4d-4
0.442

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

ANN-UNI-98d2bf15-5
0.442

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

DAR-DIA-0cde14eb-1
0.442

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

TRY-UNI-2eddb1ff-1
0.440

View
O=C(Cc1cccnc1)NCc1ccccc1

NAU-LAT-64f4b287-9
0.439

View
Cc1cc(C)c2nc(C(=O)NCC(=O)Nc3cnccc3C)sc2c1

GAB-REV-70cc3ca5-14
0.439

View
Cc1ccncc1NC(=O)CN1CCOCC1

BEN-DND-93268d01-10
0.437

View
Cc1ccncc1NC(=O)CCOC1CC1

MAT-POS-590ac91e-10
0.437

View
Cc1ccncc1NC(=O)CC1CC2(CC2)C1

MAT-POS-590ac91e-24
0.437

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

DAR-DIA-0cde14eb-2
0.436

View
Cc1ccncc1NC(=O)Cc1nc2ccccc2[nH]1

GAB-REV-70cc3ca5-9
0.436

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

PET-SGC-6e7c5dc0-1
0.435

View
Cc1ccncc1NC(=O)CC1(CO)CC1

MAT-POS-590ac91e-6
0.435

View
Cc1ccncc1NC(=O)CCc1cccc(F)c1

BEN-DND-93268d01-6
0.434

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

DAR-DIA-0cde14eb-14
0.432

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

MAT-POS-590ac91e-15
0.431

View
Cc1ccncc1NC(=O)CCc1ccn[nH]1

MAT-POS-590ac91e-17
0.431

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

RAL-THA-6b94ceba-5
0.430

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

DAR-DIA-0cde14eb-77
0.430

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

DAR-DIA-0cde14eb-3
0.430

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

DAR-DIA-0cde14eb-4
0.430

View
COC1(CC(=O)Nc2cnccc2C)CC1

MAT-POS-590ac91e-9
0.429

View
Cc1ccncc1NC(=O)CC(O)C1CC1

MAT-POS-590ac91e-7
0.429

View
Cc1ccncc1NC(=O)CCc1ccccc1F

BEN-DND-93268d01-7
0.427

View
Cc1ccncc1NC(=O)Cc1nc2ncccc2o1

GAB-REV-70cc3ca5-11
0.425

View
Cc1ccncc1NC(=O)CNc1ccnc2ccccc12

GAB-REV-70cc3ca5-4
0.425

View
Cc1ccncc1NC(=O)CNc1c[nH]c2ccccc12

GAB-REV-70cc3ca5-17
0.425

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

BEN-DND-93268d01-13
0.425

View
Cc1ccncc1NC(=O)CCc1ccc(F)cc1

BEN-DND-93268d01-5
0.425

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

PET-SGC-2e937068-1
0.423

View
Cc1ccncc1NC(=O)CN1CCCCC1

BEN-DND-93268d01-11
0.423

View
Cc1ccncc1NC(=O)CC1CCCCC1

ALE-HEI-f28a35b5-6
0.423

View
Cc1ccncc1NC(=O)CN1CCN(C)CC1

BEN-DND-93268d01-9
0.423

View
Cc1ccncc1NC(=O)CC1CCCCC1

TRY-UNI-714a760b-10
0.423

View
Cc1ccncc1NC(=O)CC1CC2CC2C1

MAT-POS-590ac91e-23
0.423

View
Cc1ccncc1NC(=O)CC1CCCCC1

EDG-MED-0da5ad92-4
0.423

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

EDJ-MED-e58735b6-4
0.420

View
Cc1ccncc1NC(=O)CCc1ccccn1

BEN-DND-93268d01-4
0.419

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

RAL-THA-6b94ceba-7
0.418

View
Cc1ccncc1NC(=O)CCCCC(N)N

ALE-HEI-f28a35b5-10
0.417

View
C=CC(=O)Nc1cnccc1C

MAK-UNK-6ca90168-27
0.413

View
Cc1ccncc1NC(=O)c1cccc(NC(=O)Nc2cccnc2)c1

MAK-UNK-129dcd6f-9
0.412

View
Cc1ccncc1NC(=O)NCCBr

ALE-HEI-f28a35b5-13
0.412

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

BEN-DND-93268d01-8
0.411

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

MAT-POS-c9973a83-1
0.410

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

RAL-THA-6b94ceba-6
0.410

View
Cc1ccncc1NC(=O)Cc1cccc(CN2CCOCC2)c1

SAD-SAT-7d5528d9-1
0.410

View
Cc1ccncc1NC(=O)CNC1(c2ccccc2)CCCCC1

WAR-XCH-e55cba98-11
0.407

View
Cc1ccncc1NC(=O)Nc1ccccc1

ALE-HEI-f28a35b5-1
0.406

View
Cc1ccncc1NC(=O)Nc1ccccc1

TRY-UNI-714a760b-4
0.406

View
Cc1ccncc1NC(=O)C(C)Cc1ccccc1

BEN-DND-93268d01-14
0.405

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

DAR-DIA-0cde14eb-64
0.405

View
Cc1ccncc1NC(=O)c1ccc(NC(=O)Nc2cccnc2)cc1

MAK-UNK-129dcd6f-12
0.405

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

DAR-DIA-0cde14eb-61
0.405

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

RAL-THA-901e9a10-7
0.405

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

BRU-LEF-c49414a7-1
0.405

View
N#Cc1ccccc1NC(=O)Cc1cccnc1

ANT-DIA-3c79be55-2
0.403

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

DAR-DIA-0cde14eb-74
0.402

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

RAL-THA-6b94ceba-8
0.402

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

DAR-DIA-0cde14eb-63
0.400

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

DAR-DIA-0cde14eb-62
0.400

View
Cc1ccncc1NC(=O)Cc1ccc2[nH]ncc2c1

VLA-UCB-00f2c2b3-2
0.400

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

MAK-UNK-372b0df5-3
0.400

View
Cc1ccncc1NC(=O)Cc1ccccc1Cc1ccccn1

THO-SYG-cc9e9a11-1
0.400

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

RAL-THA-6b94ceba-13
0.400

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

WIL-MOD-03b86a88-2
0.398

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

RED-SAT-26a928c9-1
0.398

View
CC1=CC=NC=C1NC(=O)CC1=CC=CN=C1

0.750

View
CC1=CC=NC=C1NC(=O)CNC(=O)CC1=CC=CC=C1

0.721

View
CC1=CC=NC=C1NC(=O)CNC(=O)CC1=CC=C(O)C=C1

0.656

View
CC1=CC=NC=C1NC(=O)CNC(=O)CC1=CC=CC(F)=C1

0.647

View
CC1=CC=C(Br)C=C1NC(=O)CNC(=O)CC1=CC=CN=C1

0.632

View
CCC(=O)NCC(=O)NC1=CN=CC=C1C

0.627

View
CC1=CC=NC=C1NC(=O)CNC(=O)CN

0.617

View
CC1=CC=CC(C)=C1NC(=O)CNC(=O)CC1=CC=CN=C1

0.609

View
CC1=CC(Br)=CC=C1NC(=O)CNC(=O)CC1=CC=CN=C1

0.609

View
CC1=CC=NC=C1NC(=O)NNC(=O)CC1=CC=CN=C1

0.606

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

0.603

View
CC1=CC=NC=C1NC(=O)C(=O)NNC(=O)CC1=CC=CN=C1

0.597

View
CC(=O)NCC(=O)NCC(=O)NC1=CN=CC=C1C

0.597

View
CC1=CC=NC=C1NC(=O)CNC(=O)CC(C)(C)C

0.597

View
CC1=CC=C(NC(=O)CNC(=O)CC2=CC=CN=C2)C(Cl)=C1

0.594

View
CC(=O)NCC(=O)NC1=CN=CC=C1C

0.593

View
CNC(=O)CNC(=O)CC1=CC=CN=C1

0.593

View
CC1=CC(C)=C(NC(=O)CNC(=O)CC2=CC=CN=C2)C(C)=C1

0.591

View
COC(=O)NCC(=O)NC1=CN=CC=C1C

0.590

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

0.587

View
O=C(CC1=CC=CN=C1)NCC(=O)NC1=CC=CC2=CC=CN=C12

0.586

View
CC1=CC=NC=C1NC(=O)CCC1=CC=CN=C1

0.585

View
O=C(CC1=CC=CN=C1)NCC(=O)NC1=CC=C(F)C(F)=C1F

0.580

View
CC1=CC=NC=C1NC(=O)CNC(=O)CC(F)(F)F

0.578

View
CC1=CC=NC=C1NC(=O)CNC(=O)CCC(C)C

0.578

View
O=C(CC1=CC=CN=C1)NCC(=O)NC1=CC=CC2=CC=CC=C12

0.577

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

0.576

View
CCNC(=O)CNC(=O)CC1=CC=CN=C1

0.574

View
CC1=CC=NC=C1NC(=O)CCCC1=CC=CN=C1

0.567

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

0.567

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

0.567

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

0.567

View
CC1=CC=C(CCC(=O)NCC(=O)NC2=CN=CC=C2C)C=C1

0.565

View
CC1=CC=NC=C1NC(=O)CNC(=O)COC1=CC=CC=C1

0.565

View
CNC(=O)NCC(=O)NC1=CN=CC=C1C

0.565

View
CC(C)NC(=O)CNC(=O)CC1=CC=CN=C1

0.565

View
CC1=CC(NC(=O)CNC(=O)CC2=CC=CN=C2)=CC=C1Br

0.563

View
O=C(CC1=CC=CN=C1)NCC(=O)NC1=CC(Cl)=CC=C1Cl

0.563

View
CC1=CC=NC=C1NC(=O)CNC(=O)C1=CC=CC=C1

0.561

View
CCCCCC(=O)NCC(=O)NC1=CN=CC=C1C

0.561

View
CC1=CC=NC=C1NC(=O)CSCC1=CC=CN=C1

0.559

View
CC1=CC=NC=C1NC(=O)COCC1=CC=CN=C1

0.559

View
CCC1=CC=CC(NC(=O)CNC(=O)CC2=CC=CN=C2)=C1

0.557

View
CONC(=O)CNC(=O)CC1=CC=CN=C1

0.556

View
CC1=CC=NC=C1NC(=O)CNC(=O)C(C)(C)C

0.556

View
CC1=CC=NC=C1NC(=O)CNC(=O)CC1=CC=CC2=CC=CC=C12

0.554

View
O=C(CC1=CC=CN=C1)NCC(=O)NC1=CC=CC=N1

0.552

View
CCCNC(=O)CNC(=O)CC1=CC=CN=C1

0.547

View
CC1=CC=NC=C1NC(=O)CNC(=O)C1=CC=NC=C1

0.545

View
CC1=CC=NC=C1NC(=O)C(=O)NCC1=CC=CN=C1

0.544

View
CNCC(=O)NC1=CN=CC=C1C

0.542

View
CC1=CC=NC=C1NC(=O)CNC(=O)OCC1=CC=CC=C1

0.542

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

0.541

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

0.538

View
COC(=O)CNC(=O)CNC(=O)CC1=CC=CN=C1

0.538

View
CC1=CC=NC=C1NC(=O)NCC1=CC=CN=C1

0.537

View
CC1=CC=NC=C1NC(=O)CNC(=O)NC1=CC=CC=C1

0.536

View
CC1=CC=NC=C1NC(=O)COCC(=O)NCC1=CC=CN=C1

0.534

View
CCC(=O)CNC(=O)CC1=CC=CN=C1

0.532

View
CC1=CC=NC=C1NC(=O)CC1=CN=CN=C1

0.531

View
O=C(CNC(=O)CC1=CC=CN=C1)NCCO

0.531

View
CC1=CC=NC=C1CNC(=O)CC1=CC=CN=C1

0.530

View
CC1=CC=NC=C1NC(=O)CC1=CC=C(CC(=O)NC2=CN=CC=C2C)C=C1

0.525

View
C=CCNC(=O)CNC(=O)CC1=CC=CN=C1

0.523

View
COCCNC(=O)CNC(=O)CC1=CC=CN=C1

0.522

View
CC1=CC=CC=C1NC(=O)CC1=CC=CN=C1

0.516

View
O=C(CNC(=O)CC1=CC=CN=C1)NCC(F)(F)F

0.515

View
O=C(CNC(=O)CC1=CC=CN=C1)NCC(F)F

0.515

View
CC1=CC=NC=C1NC(=O)NCCC1=CC=CN=C1

0.514

View
CC1=CC=NC=C1NC(=O)C(=O)NCC(=O)NC1=CC=CN=C1

0.514

View
CC1=CN=CC=C1NC(=O)CC1=CC=CN=C1

0.508

View
CC1=CC=NC=C1CCNC(=O)CC1=CC=CN=C1

0.507

View
CC1=CN=NC=C1NC(=O)CC1=CC=CN=C1

0.500

View
CC1=CC=NC=C1NC(=O)CC1=CC=NC=C1

0.500

View
O=C(CNC(=O)CC1=CC=CN=C1)NCC1=CC=CC=C1

0.500

View
CC1=CC=NC=C1NC(=O)CC1=C(C)C=CC=C1C

0.500

View
CC1=CC=NC=C1NC(=O)CC1=CC=CC(OCC2=CC=CN=C2)=C1

0.494

View
CC1=CC=NC=C1NC(=O)CCNC(=O)CC1=CC=CC=C1

0.493

View
CC1=CC=CC(CC(=O)NC2=CN=CC=C2C)=C1

0.493

View
CSC1=CC=NC=C1NC(=O)CNC(=O)CC1=CC=CC=C1

0.486

View
CC1=CC=NC=C1NC(=O)NCC(=O)NC1=CC=CN=C1

0.486

View
CC1=CC=NC=C1NC(=O)CC1=CC=CC(Cl)=C1

0.486

View
CC1=CC=NC=C1NC(=O)CC1=CC=CC(I)=C1

0.486

View
CC(=O)NC1=CC=NC=C1NC(=O)CC1=CC=CN=C1

0.485

View
CC1=CC=C(CC(=O)NC2=CN=CC=C2C)C=C1

0.485

View
CC1=CN=CC=C1NC(=O)CNC(=O)CC1=CC=CC=C1

0.479

View
CC1=CC=NC=C1NC(=O)CC1=CC=CC(Br)=C1

0.479

View
O=C(CC1=CC=CC=C1)NCC(=O)NC1=CN=CC=C1O

0.479

View
CC1=CC=C(C)C(NC(=O)CC2=CC=CN=C2)=C1

0.478

View
CC1=CC=C(Br)C=C1NC(=O)CNC(=O)NNC(=O)CC1=CC=CN=C1

0.468

View
CC1=CC=C(C2=CC=NC=C2)C=C1NC(=O)CC1=CC=CN=C1

0.467

View
COC1=CC=NC=C1NC(=O)CNC(=O)CC1=CC=CC=C1

0.467

View
CC1=CC=C(C2=CC=CN=C2)C=C1NC(=O)CNC(=O)CC1=CC=CC=C1

0.463

View
CC1=CC=NC=C1NC(=O)C(=O)NCCNC(=O)CC1=CC=CC=C1

0.461

View
CC1=CC=C(C(C)C)C=C1NC(=O)CC1=CC=CN=C1

0.458

View
CC1=CC=NC=C1NC(=O)NCCNC(=O)CC1=CC=CC=C1

0.453

View
CC1=CC=C(C2=CC=CN=C2)C=C1NC(=O)CC1=CC=CN=C1

0.446

View
CC1=CC=C(C2=CC=CN=C2)C=C1NC(=O)CNC(=O)CC1=CC=C(O)C=C1

0.434

View
CC1=CN=CC=C1NC(=O)CNC(=O)CC1=CC=C(O)C=C1

0.432

View
CC1=CC=C(C2=CC=CN=C2)C=C1NC(=O)CNC(=O)CC1=CC=CC(F)=C1

0.430

View
O=C(Cc1cccnc1)N1CCN(C(=O)C1)c1cccnc1

0.286

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

0.750

View
C(NC1=CN=CC(Cl)=C1C)(=O)CC1=CC=CN=C1

0.471

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

0.458

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

0.422

View


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