Molecule Details

Molecular Properties
SMILES:
Cc1ccncc1NC(=O)CNc1ccnc2ccccc12
MW: 292.342
Fraction sp3: 0.12
HBA: 4
HBD: 2
Rotatable Bonds: 4
TPSA: 66.91
cLogP: 2.98882
Covalent Warhead:
Covalent Fragment:
Source
Enamine SCR: Z4444622217
Activity Data
Average Inhibition @ 20 µM - Fluorescence: -21.6493
Average Inhibition @ 50 µM - Fluorescence: -18.34019
Relative Solubility @ 20 µM: 1.0
Relative Solubility @ 100 µM: 1.0
Order Status
Ordered: 2020-03-31
Synthesis Location: enamine
Shipped: 2020-05-20
Cc1ccncc1NC(=O)CNc1c[nH]c2ccccc12

GAB-REV-70cc3ca5-17
0.544

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

GAB-REV-70cc3ca5-21
0.473

View
Cc1ccncc1NC(=O)CCl

MAK-UNK-6ca90168-26
0.441

View
Cc1ccncc1NC(=O)CC(O)C1CC1

MAT-POS-590ac91e-7
0.440

View
Cc1ccncc1NC(=O)Cc1ccccc1

TRY-UNI-714a760b-5
0.432

View
Cc1ccncc1NC(=O)CCc1ccccn1

BEN-DND-93268d01-4
0.430

View
Cc1ccncc1NC(=O)Cc1nc2ccccc2[nH]1

GAB-REV-70cc3ca5-9
0.429

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

GAB-REV-70cc3ca5-13
0.425

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

MAT-POS-590ac91e-11
0.425

View
Cc1ccncc1NC(=O)Cc1nc2cccc(C)c2o1

GAB-REV-70cc3ca5-23
0.424

View
Cc1ccncc1NC(=O)CC#N

ASH-SAT-43770c7d-9
0.423

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

BEN-DND-93268d01-13
0.418

View
Cc1ccncc1NC(=O)Cc1cccc(F)c1

ALP-POS-95b75b4d-1
0.412

View
Cc1ccncc1NC(=O)CCCBr

ALE-HEI-f28a35b5-12
0.405

View
Cc1ccncc1NC(=O)Cc1ccccc1N

ANN-UNI-98d2bf15-1
0.405

View
Cc1ccncc1NC(=O)CCc1ccccc1F

BEN-DND-93268d01-7
0.402

View
Cc1ccncc1NC(=O)Cc1cccc(O)c1

ALP-POS-95b75b4d-2
0.400

View
Cc1ccncc1NC(=O)Cc1cccc(CO)c1

EDJ-MED-e58735b6-2
0.400

View
Cc1ccncc1NC(=O)CN1CCCCC1

BEN-DND-93268d01-11
0.397

View
Cc1ccncc1NC(=O)CN1CCN(C)CC1

BEN-DND-93268d01-9
0.397

View
Cc1ccncc1NC(=O)Cc1ccsc1

MIH-UNI-6b9ca91a-1
0.397

View
Cc1ccncc1NC(=O)Cc1ccccc1Cc1ccccn1

THO-SYG-cc9e9a11-1
0.395

View
Cc1ccc(CC(=O)Nc2cnccc2C)cc1

JAN-GHE-83b26c96-11
0.395

View
CC(=O)Nc1cnccc1C

MAK-UNK-6435e6c2-8
0.394

View
CC(=O)Nc1cnccc1C

AAR-POS-d2a4d1df-3
0.394

View
Cc1ccncc1NC(=O)CCOC1CC1

MAT-POS-590ac91e-10
0.392

View
Cc1ccncc1NC(=O)CN1CCOCC1

BEN-DND-93268d01-10
0.392

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

PET-SGC-6e7c5dc0-1
0.390

View
Cc1ccncc1NC(=O)CC1(CO)CC1

MAT-POS-590ac91e-6
0.390

View
Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

TRY-UNI-2eddb1ff-2
0.388

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

MAT-POS-590ac91e-15
0.388

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

BEN-DND-93268d01-8
0.388

View
Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

EDG-MED-0da5ad92-8
0.388

View
Cc1ccncc1NC(=O)CNC1(c2ccccc2)CCCCC1

WAR-XCH-e55cba98-11
0.386

View
CC(=O)n1cc(N(C)CC(=O)Nc2cnccc2C)c2ccccc21

GAB-REV-70cc3ca5-10
0.385

View
COC1(CC(=O)Nc2cnccc2C)CC1

MAT-POS-590ac91e-9
0.385

View
Cc1ccncc1NC(=O)Cc1cccc(I)c1

JAN-GHE-83b26c96-13
0.383

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

GAB-REV-70cc3ca5-20
0.383

View
Cc1ccncc1NC(=O)Cc1cccc(Cl)c1

TRY-UNI-714a760b-6
0.383

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

ANN-UNI-98d2bf15-2
0.381

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

GAB-REV-70cc3ca5-5
0.380

View
Cc1ccncc1NC(=O)CC1CCCCC1

ALE-HEI-f28a35b5-6
0.380

View
Cc1nnc(CC(=O)Nc2cnccc2C)s1

ALE-HEI-f28a35b5-3
0.380

View
Cc1ccncc1NC(=O)CC1CC2CC2C1

MAT-POS-590ac91e-23
0.380

View
Cc1ccncc1NC(=O)CC1CCCCC1

TRY-UNI-714a760b-10
0.380

View
Cc1ccncc1NC(=O)CC1CCCCC1

EDG-MED-0da5ad92-4
0.380

View
Cc1ccncc1NC(=O)Cc1cccc(Br)c1

JAN-GHE-83b26c96-12
0.378

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

MAK-UNK-372b0df5-3
0.378

View
Cc1ccncc1NC(=O)CCc1cccc(F)c1

BEN-DND-93268d01-6
0.376

View
Cc1ccncc1NC(=O)CCCCC(N)N

ALE-HEI-f28a35b5-10
0.375

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

EDJ-MED-c9f55a56-1
0.375

View
Cc1ccncc1NC(=O)CC1CC2(CC2)C1

MAT-POS-590ac91e-24
0.375

View
Cc1ccncc1NC(=O)Cc1ccccc1-c1ccccn1

THO-SYG-cc9e9a11-2
0.375

View
Cc1ccncc1NC(=O)C(CO)c1ccccc1

BEN-DND-93268d01-3
0.375

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

GAB-REV-70cc3ca5-3
0.372

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

DAR-DIA-0cde14eb-79
0.372

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

EDJ-MED-e58735b6-3
0.372

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

WIL-WAB-6ef46ddb-1
0.371

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

PET-SGC-d5b502b1-1
0.371

View
Cc1ccncc1NC(=O)CCc1ccn[nH]1

MAT-POS-590ac91e-17
0.370

View
Cc1ccncc1NC(=O)C[C@H](c1ccccc1)N1CCC(O)CC1

ALP-POS-90c18d1d-1
0.370

View
COc1cccc(CC(=O)Nc2cnccc2C)c1

EDJ-MED-e58735b6-1
0.369

View
Cc1ccncc1NC(=O)NCCBr

ALE-HEI-f28a35b5-13
0.368

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

PED-UNI-292b67d6-1
0.368

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

PET-SGC-2e937068-1
0.368

View
Cc1ccncc1NC(=O)CN(C)c1cc2ccccc2[nH]1

GAB-REV-70cc3ca5-7
0.367

View
C=CC(=O)Nc1cnccc1C

MAK-UNK-6ca90168-27
0.366

View
Cc1ccncc1NC(=O)CCc1ccc(F)cc1

BEN-DND-93268d01-5
0.366

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

GAB-REV-70cc3ca5-2
0.366

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

TRY-UNI-2eddb1ff-1
0.365

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

DAR-DIA-0cde14eb-76
0.365

View
Cc1ccncc1NC(=O)CCc1cccc(Cl)c1

ALP-POS-f13221e1-4
0.365

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

JAN-GHE-83b26c96-14
0.365

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

ALP-POS-95b75b4d-3
0.365

View
Cc1ccncc1NC(=O)Nc1ccccc1

TRY-UNI-714a760b-4
0.364

View
Cc1ccncc1NC(=O)Nc1ccccc1

ALE-HEI-f28a35b5-1
0.364

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

ANU-UNK-2781581f-1
0.363

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

RED-SAT-26a928c9-1
0.363

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

MAK-UNK-f203cb68-3
0.363

View
CCCCOc1ccc(Cl)cc1CC(=O)Nc1cnccc1C

EDG-MED-0da5ad92-7
0.363

View
Cc1ccncc1NC(=O)CC(C)(C)NC(=O)c1cccc2[nH]ccc12

GAB-REV-70cc3ca5-6
0.361

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

TRY-UNI-714a760b-20
0.360

View
Cc1ccncc1NC(=O)Cc1ccc2[nH]ccc2c1

VLA-UCB-00f2c2b3-1
0.360

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

RAL-THA-6b94ceba-5
0.360

View
Cc1ccncc1NC(=O)CN1CCCc2ccccc21

BEN-DND-93268d01-12
0.359

View
Cc1ccncc1NC(=O)CC1CCCNC1

EDG-MED-0da5ad92-9
0.357

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

DAR-DIA-0cde14eb-78
0.356

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

PET-SGC-175e168c-1
0.356

View
Cc1ccncc1NC(=O)Cc1nc2ncccc2o1

GAB-REV-70cc3ca5-11
0.356

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

GAB-REV-70cc3ca5-19
0.356

View
Cc1ccncc1NC(=O)Cc1ccc2nc[nH]c2c1

GAB-REV-70cc3ca5-18
0.356

View
Cc1ccncc1NC(=O)Cn1ccc2ccc(F)cc21

BAR-COM-0f94fc3d-18
0.356

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

TRY-UNI-1fd04853-1
0.356

View
Cc1ccncc1NC(=O)CC12CCCC1C2

MAT-POS-590ac91e-25
0.353

View
Cc1ccncc1NC(=O)Cc1cccc(C2CC2)c1

ALP-POS-95b75b4d-4
0.352

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

ANN-UNI-98d2bf15-5
0.352

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

DAR-DIA-0cde14eb-1
0.352

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

DAR-DIA-0cde14eb-74
0.352

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

MAT-POS-590ac91e-13
0.351

View
Cc1ccncc1NC(=O)Cc1cc(C#N)ccc1Cc1ccccn1

THO-SYG-cc9e9a11-3
0.351

View
CC1=CC=CC(C)=C1NC(=O)CNC1=CC=NC2=CC=CC=C12

0.625

View
CC1=CC(Br)=CC=C1NC(=O)CNC1=CC=NC2=CC=CC=C12

0.610

View
CC1=CC(C)=C(NC(=O)CNC2=CC=NC3=CC=CC=C23)C(C)=C1

0.600

View
O=C(CNC1=CC=NC2=CC=CC=C12)NC1=CC=C(Br)C=C1

0.595

View
O=C(CNC1=CC=NC2=CC=CC=C12)NC1=CC=C(Cl)C=C1

0.587

View
CCNC(=O)CNC1=CC=NC2=CC=CC=C12

0.586

View
CC(C)NC(=O)CNC1=CC=NC2=CC=CC=C12

0.586

View
CC1=CC(NC(=O)CNC2=CC=NC3=CC=CC=C23)=CC=C1Br

0.582

View
O=C(CNC1=CC=NC2=CC=CC=C12)NC1=CC=C(F)C(F)=C1

0.564

View
CCCNC(=O)CNC1=CC=NC2=CC=CC=C12

0.562

View
CC(C)CNC(=O)CNC1=CC=NC2=CC=CC=C12

0.562

View
C#CCNC(=O)CNC1=CC=NC2=CC=CC=C12

0.562

View
CC1=CC=NC=C1NC(=O)CNC1=CC=CC=C1Cl

0.556

View
O=C(O)CNC1=CC=NC2=CC=CC=C12

0.552

View
CC1=CC=NC=C1NC(=O)CNC1=C(C)C=CC=C1C

0.535

View
COC1=CC=CC=C1NCC(=O)NC1=CN=CC=C1C

0.533

View
O=C(CNC1=CC=NC2=CC=CC=C12)NCC(F)(F)F

0.533

View
O=C(CNC1=CC=NC2=CC=CC=C12)NCC1=CC=CC=C1

0.533

View
C=CCNC(=O)CNC1=CC=NC2=CC=CC=C12

0.533

View
COCCNC(=O)CNC1=CC=NC2=CC=CC=C12

0.532

View
CC1=CC=NC=C1NC(=O)C1=CC=NC2=CC=CC=C12

0.526

View
O=C(CNC1=CC=NC2=CC=CC=C12)NCC1CC1

0.519

View
CC1=CC=NC=C1NC(=O)CN1C=NC2=CC=CC=C2C1=O

0.519

View
CC1=CC=NC=C1NC(=O)CNC1=CC=CC=C1C(N)=O

0.513

View
CC1=CC=NC=C1NC(=O)CNC(=O)C1=CN=C2C=CC=CC2=C1O

0.512

View
CC1=CC=NC=C1NC(=O)CNC1=CC=CC=C1[N+](=O)[O-]

0.500

View
CC1=CC=NC=C1C(=O)NC1=CC=NC2=CC=CC=C12

0.500

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

0.500

View
O=C(CNC1=CC=NC2=CC=CC=C12)NCCC1=CC=CC=C1

0.494

View
CC1=CN=CC=C1CCNC1=CC=NC2=CC=CC=C12

0.494

View
CC1=CC=CC(C)=C1NC(=O)CNC1=CC=NC2=CC=NC=C12

0.481

View
CC1=CN=CC=C1C(=O)NC1=CC=NC2=CC=CC=C12

0.481

View
CCC(=O)NC1=CC=NC2=CC=CC=C12

0.479

View
CC1=CC=NC=C1NC(=O)CCN1C=NC2=CC=CC=C2C1=O

0.477

View
CC1=CC=NC=C1NC(=O)C=CC1=CC=NC2=CC=CC=C12

0.476

View
O=C(CNC1=CC=CC=C1Cl)NC1=CC=NC2=CC=NC=C12

0.470

View
CC1=CC=CC(C)=C1NC(=O)CNC1=CC=NC2=CN=CC=C12

0.469

View
CC1=CC=NC=C1C(=O)NNC1=CC=NC2=CC=CC=C12

0.469

View
CC1=CC=NC=C1NC(=O)CSC1=NC=CC2=CC=CC=C12

0.464

View
CC1=CC=CC(C)=C1NCC(=O)NC1=CC=NC2=CC=NC=C12

0.463

View
CC1=CC=NC=C1NC(=O)C1=CN=C2C=CC=CC2=C1C

0.463

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

0.457

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

0.457

View
CC1=CC=NC=C1NC(=O)CNC1=CC=CC(Cl)=C1

0.456

View
CC1=CC(Br)=CC=C1NC(=O)CNC1=CC=NC2=CN=CC=C12

0.453

View
CC1=CC(Br)=CC=C1NC(=O)CNC1=CC=NC2=CC=NC=C12

0.453

View
COCC(=O)NC1=CC=NC2=CC=CC=C12

0.453

View
CC1=CC=NC=C1NC(=O)C1=CC=CC2=NC=CC=C12

0.450

View
CC1=CC(C)=C(NC(=O)CNC2=CC=NC3=CC=NC=C23)C(C)=C1

0.446

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

0.444

View
CC1=CC=NC=C1NC(=O)CCC1=NC2=CC=CC=C2C(=O)[NH]1

0.443

View
COC1=CC=CC=C1NCC(=O)NC1=CC=NC2=CC=NC=C12

0.442

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

0.442

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

0.441

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

0.441

View
CC1=CC(C)=C(NC(=O)CNC2=CC=NC3=CN=CC=C23)C(C)=C1

0.440

View
CC1=CC=NC=C1NC(=O)CNC1=NS(=O)(=O)C2=CC=CC=C12

0.440

View
O=C(CNC1=CC=NC2=CN=CC=C12)NC1=CC=C(Br)C=C1

0.439

View
O=C(CNC1=CC=NC2=CN=CC=C12)NC1=CC=C(I)C=C1

0.439

View
CC1=CC=C(CC(=O)NC2=CC=NC3=CC=CC=C23)C=C1

0.438

View
O=C(CNC1=CC=NC2=CN=CC=C12)NC1=CC=C(Cl)C=C1

0.434

View
O=C(CNC1=CC=NC2=CC=NC=C12)NC1=CC=C(Br)C=C1

0.434

View
O=C(CNC1=CC=NC2=CC=NC=C12)NC1=CC=C(I)C=C1

0.434

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

0.430

View
CC1=CC=NC=C1NC(=O)CCC1=CC=CC=N1

0.430

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

0.430

View
O=C(CNC1=CC=NC2=CC=NC=C12)NC1=CC=C(Cl)C=C1

0.429

View
CC1=CC=NC=C1NC(=O)CCN1C2=CC=CC=C2C2=CC=CC=C21

0.427

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

0.427

View
CC1=CC(NC(=O)CNC2=CC=NC3=CN=CC=C23)=CC=C1Br

0.425

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

0.425

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

0.423

View
CC1=CC(NC(=O)CNC2=CC=NC3=CC=NC=C23)=CC=C1Br

0.420

View
CCNC(=O)CNC1=CC=NC2=CN=CC=C12

0.418

View
CCNC(=O)CNC1=CC=NC2=CC=NC=C12

0.418

View
CC(C)NC(=O)CNC1=CC=NC2=CN=CC=C12

0.418

View
CC(C)NC(=O)CNC1=CC=NC2=CC=NC=C12

0.418

View
O=C(CNC1=CC=NC2=CN=CC=C12)NCC1=CC=CC=C1

0.417

View
O=C(CNC1=CC=NC2=CC=NC=C12)NCC1=CC=CC=C1

0.417

View
O=C(CNC1=CC=CC=C1[N+](=O)[O-])NC1=CC=NC2=CC=NC=C12

0.416

View
CC(C)CNC(=O)CNC1=CC=NC2=CN=CC=C12

0.415

View
CC(C)CNC(=O)CNC1=CC=NC2=CC=NC=C12

0.415

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

0.410

View
CC1=CC=CC=C1NCCC(=O)NC1=CC=NC2=CC=NC=C12

0.409

View
C#CCNC(=O)CNC1=CC=NC2=CN=CC=C12

0.407

View
CCCNC(=O)CNC1=CC=NC2=CN=CC=C12

0.402

View
CCCNC(=O)CNC1=CC=NC2=CC=NC=C12

0.402

View
CC1=CC=NC=C1NC(=O)NCC(=O)NC1=CC=CC2=CC=CC=C12

0.398

View
CCONC(=O)CNC1=CC=NC2=CN=CC=C12

0.398

View
CC1=CC=CC(C)=C1NCC(=O)NC1=CC=CC2=NC=CC=C12

0.398

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

0.395

View
CC1=CC=NC=C1NC(=O)C(=O)NCC(=O)NC1=CC=CC2=CC=CC=C12

0.389

View
COCCNC(=O)CNC1=CC=NC2=CN=CC=C12

0.384

View
CC1=CN=CC=C1NC(=O)CNC1=CC=CC=C1Cl

0.383

View
O=C(CNC1=CC=NC2=CC=NC=C12)NCCC1=CC=CC=C1

0.382

View
C=CCNC(=O)CNC1=CC=NC2=CN=CC=C12

0.381

View
O=C(CNC1=CC=NC2=CN=CC=C12)NCCC1=CC=CC=C1

0.378

View
O=C(CNC1=CC=NC2=CN=CC=C12)NCC1CC1

0.372

View
COC1=CC=CC=C1CCNC(=O)CNC1=CC=NC2=CN=CC=C12

0.371

View
CC1=CN=CC=C1NC(=O)CNC1=CC=CC=C1[N+](=O)[O-]

0.345

View

C(NC1C2C(=CC=CC=2)N=CC=1)(=O)CN(C)C

0.453

View
C(NC1C2C(=CC=CC=2)N=CC=1)(=O)C

0.449

View
C(NC1C2C(=CC=CC=2)N=CC=1)(=O)CC1=CC=NC=C1

0.449

View
C(NC1C2C(=NC=CC=2)C=CC=1)(=O)CN(C)C

0.313

View
C(NC1=C(C)C=CC2=C1C=CC=N2)(=O)CN(C)C

0.276

View
C(NC1=C(C)C=CC2=C1C=CC=N2)(=O)C

0.272

View


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