Molecule Details

Cc1ccncc1NC(=O)CCOC1CC1
Enamine Assayed
Molecular Properties
SMILES:
Cc1ccncc1NC(=O)CCOC1CC1
MW: 220.12
Fraction sp3: 0.5
HBA: 3
HBD: 1
Rotatable Bonds: 5
TPSA: 51.22
cLogP: 1.9
Covalent Warhead:
Covalent Fragment:
Source
Enamine REAL: Z3296843732
Enamine Extended REAL: s_22____3391102____14416032
Activity Data
Average Inhibition @ 20 µM - Fluorescence: 8.257059
Average Inhibition @ 50 µM - Fluorescence: 22.007765
Relative Solubility @ 20 µM: 1.0
Relative Solubility @ 100 µM: 1.0
Order Status
Ordered: 2020-05-17
Synthesis Location: enamine
Shipped: 2020-06-16
CS(=O)(=O)NCCc1ccccc1

AAR-POS-d2a4d1df-1

View

Cc1ccncc1NC(=O)CCCBr

ALE-HEI-f28a35b5-12
0.586

View
Cc1ccncc1NC(=O)Cc1ccccc1

TRY-UNI-714a760b-5
0.541

View
Cc1ccncc1NC(=O)CCl

MAK-UNK-6ca90168-26
0.536

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

PET-SGC-6e7c5dc0-1
0.532

View
Cc1ccncc1NC(=O)CC(O)C1CC1

MAT-POS-590ac91e-7
0.524

View
Cc1ccncc1NC(=O)CC1CCCCC1

EDG-MED-0da5ad92-4
0.516

View
Cc1ccncc1NC(=O)CC1CCCCC1

TRY-UNI-714a760b-10
0.516

View
Cc1ccncc1NC(=O)CC1CCCCC1

ALE-HEI-f28a35b5-6
0.516

View
Cc1ccncc1NC(=O)CC#N

ASH-SAT-43770c7d-9
0.508

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

MAT-POS-590ac91e-11
0.508

View
Cc1ccncc1NC(=O)CC1CC2(CC2)C1

MAT-POS-590ac91e-24
0.508

View
Cc1ccncc1NC(=O)CCCCC(N)N

ALE-HEI-f28a35b5-10
0.508

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

MAK-UNK-372b0df5-3
0.507

View
Cc1ccncc1NC(=O)Cc1cccc(C2CC2)c1

ALP-POS-95b75b4d-4
0.507

View
CCO[C@@H]1C[C@H]1C(=O)Nc1cnccc1C

MAT-POS-590ac91e-8
0.500

View
Cc1ccncc1NC(=O)CCc1ccn[nH]1

MAT-POS-590ac91e-17
0.500

View
COC1(CC(=O)Nc2cnccc2C)CC1

MAT-POS-590ac91e-9
0.500

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

MAT-POS-590ac91e-15
0.500

View
Cc1ccncc1NC(=O)CCc1ccccc1F

BEN-DND-93268d01-7
0.493

View
Cc1ccncc1NC(=O)CCc1ccc(F)cc1

BEN-DND-93268d01-5
0.493

View
Cc1ccncc1NC(=O)CC1CC2CC2C1

MAT-POS-590ac91e-23
0.492

View
Cc1ccc(CC(=O)Nc2cnccc2C)cc1

JAN-GHE-83b26c96-11
0.492

View
Cc1ccncc1NC(=O)CCc1cccc(Cl)c1

ALP-POS-f13221e1-4
0.486

View
Cc1ccncc1NC(=O)CCc1ccccn1

BEN-DND-93268d01-4
0.485

View
Cc1ccncc1NC(=O)CC1(CO)CC1

MAT-POS-590ac91e-6
0.484

View
CC(=O)Nc1cnccc1C

AAR-POS-d2a4d1df-3
0.481

View
CC(=O)Nc1cnccc1C

MAK-UNK-6435e6c2-8
0.481

View
Cc1ccncc1NC(=O)CCc1cccc(F)c1

BEN-DND-93268d01-6
0.479

View
Cc1ccncc1NC(=O)CC1CCCNC1

EDG-MED-0da5ad92-9
0.478

View
Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

EDG-MED-0da5ad92-8
0.478

View
Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

TRY-UNI-2eddb1ff-2
0.478

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

GAB-REV-70cc3ca5-3
0.472

View
Cc1ccncc1NC(=O)CC12CCCC1C2

MAT-POS-590ac91e-25
0.471

View
COc1cccc(CC(=O)Nc2cnccc2C)c1

EDJ-MED-e58735b6-1
0.471

View
Cc1ccncc1NC(=O)Cc1cccc(Cl)c1

TRY-UNI-714a760b-6
0.471

View
Cc1ccncc1NC(=O)Cc1cccc(CO)c1

EDJ-MED-e58735b6-2
0.471

View
Cc1ccncc1NC(=O)Cc1cccc(I)c1

JAN-GHE-83b26c96-13
0.471

View
Cc1ccncc1NC(=O)Cc1cccc(O)c1

ALP-POS-95b75b4d-2
0.471

View
Cc1ccncc1NC(=O)CN1CCN(C)CC1

BEN-DND-93268d01-9
0.470

View
Cc1nnc(CC(=O)Nc2cnccc2C)s1

ALE-HEI-f28a35b5-3
0.470

View
Cc1ccncc1NC(=O)CN1CCCCC1

BEN-DND-93268d01-11
0.470

View
Cc1ccncc1NC(=O)Cc1ccsc1

MIH-UNI-6b9ca91a-1
0.470

View
Cc1ccncc1NC(=O)CCNc1ccc2[nH]ncc2c1

GAB-REV-70cc3ca5-12
0.468

View
C=CC(=O)Nc1cnccc1C

MAK-UNK-6ca90168-27
0.466

View
Cc1ccncc1NC(=O)Cc1cccc(F)c1

ALP-POS-95b75b4d-1
0.464

View
Cc1ccncc1NC(=O)Cc1cccc(Br)c1

JAN-GHE-83b26c96-12
0.464

View
Cc1ccncc1NC(=O)CN1CCOCC1

BEN-DND-93268d01-10
0.463

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

EDJ-MED-c9f55a56-1
0.463

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

BRU-LEF-c49414a7-1
0.462

View
Cc1ccncc1NC(=O)[C@@H]1[C@H]2CCCC[C@H]21

MAT-POS-590ac91e-19
0.462

View
Cc1ccncc1NC(=O)C1CC(C2CC2)C1

MAT-POS-590ac91e-18
0.462

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

RAL-THA-901e9a10-7
0.462

View
Cc1ccncc1NC(=O)Cc1ccc2[nH]ncc2c1

VLA-UCB-00f2c2b3-2
0.459

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

BEN-DND-93268d01-8
0.456

View
Cc1ccncc1NC(=O)Cc1ccccc1N

ANN-UNI-98d2bf15-1
0.456

View
Cc1ccncc1NC(=O)C(C)CC1CC1

MAT-POS-590ac91e-5
0.455

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

ERI-UCB-5b47150d-6
0.455

View
Cc1ccncc1NC(=O)CCSCC(NC=O)S(C)(=O)=O

MAK-UNK-372b0df5-2
0.453

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

MAT-POS-c9973a83-1
0.452

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

WIL-MOD-03b86a88-4
0.450

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

GAB-REV-70cc3ca5-20
0.449

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

BEN-DND-93268d01-13
0.449

View
Cc1ccncc1NC(=O)C1CCC12CCC2

MAT-POS-590ac91e-22
0.448

View
Cc1ccncc1NC(=O)C1CC(C2CC2Cl)C1

DAR-DIA-6a508060-12
0.448

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

GAB-REV-70cc3ca5-21
0.448

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

ANN-UNI-98d2bf15-5
0.446

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

DAR-DIA-0cde14eb-1
0.446

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

PET-SGC-2e937068-1
0.446

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

ANN-UNI-98d2bf15-2
0.444

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

ALP-POS-95b75b4d-3
0.444

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

DAR-DIA-0cde14eb-76
0.444

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

JAN-GHE-83b26c96-14
0.444

View
Cc1ccncc1NC(=O)CCc1cc(S(N)(=O)=O)ccc1Br

PET-SGC-83d43576-1
0.442

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

DAR-DIA-0cde14eb-2
0.440

View
Cc1ccncc1NC(=O)Cc1cc(Cl)cc(OC2CC(=O)N2)c1

TRY-UNI-2eddb1ff-7
0.439

View
Cc1ccncc1NC(=O)Cc1ccc(Cl)c(OC2CC(=O)N2)c1

RAL-THA-901e9a10-8
0.439

View
Cc1ccncc1NC(=O)Cc1cc(Cl)cc(OC2CC(=O)N2)c1

WIL-MOD-03b86a88-1
0.439

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

TRY-UNI-714a760b-20
0.438

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

GAB-REV-70cc3ca5-13
0.437

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

ERI-UCB-5b47150d-1
0.435

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

MAT-POS-590ac91e-1
0.435

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

MAT-POS-590ac91e-2
0.435

View
Cc1ccncc1NC(=O)C(C)C1CCCCC1

TRY-UNI-714a760b-16
0.435

View
Cc1ccncc1NC(=O)C1CCC2(CC2)C1

MAT-POS-590ac91e-21
0.435

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

DAR-DIA-0cde14eb-3
0.434

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

DAR-DIA-0cde14eb-4
0.434

View
Cc1ccncc1NC(=O)NC1CCCCC1

ALE-HEI-f28a35b5-7
0.433

View
Cc1ccncc1NC(=O)NC1CCCCC1

TRY-UNI-714a760b-11
0.433

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

DAR-DIA-0cde14eb-79
0.432

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

DAR-DIA-0cde14eb-78
0.432

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

EDJ-MED-e58735b6-3
0.432

View
COC(=O)c1cc(S(N)(=O)=O)ccc1CCC(=O)Nc1cnccc1C

PET-SGC-d0fd10df-1
0.432

View
Cc1cc(CC(=O)Nc2cnccc2C)cc(OC2CC(=O)N2)c1

RAL-THA-901e9a10-1
0.432

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

WIL-MOD-03b86a88-3
0.429

View
COc1cc(CC(=O)Nc2cnccc2C)cc(OC2CC(=O)N2)c1

RAL-THA-901e9a10-5
0.427

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

RAL-THA-901e9a10-6
0.427

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

DAR-DIA-0cde14eb-64
0.427

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

DAR-DIA-0cde14eb-61
0.427

View
Cc1ccncc1NC(=O)[C@@H]1CNC(=O)O1

MAT-POS-590ac91e-12
0.426

View
Cc1ccncc1NC(=O)Cc1ccccc1CN1CCC(O)CC1

SAM-UNK-2684b532-9
0.425

View
Cc1ccncc1NC(=O)CCOC1CCOCC1

0.844

View
Cc1ccncc1NC(=O)CCCOC1CCC(C)CC1

0.787

View
Cc1ccncc1NC(=O)CCCOC1CCOCC1

0.735

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

0.714

View
Cc1ccncc1NC(=O)CCC1CC1

0.705

View
Cc1ccncc1NC(=O)COC1CCC(C)CC1

0.702

View
COCCC(=O)Nc1cnccc1C

0.698

View
Cc1ccncc1NC(=O)COC1CCCC1

0.696

View
Cc1cnccc1NC(=O)CCOC1CCOCC1

0.694

View
Cc1ccncc1NC(=O)CO[C@H]1CC[C@H](N)CC1

0.688

View
Cc1ccncc1NC(=O)COC1CCCCC1

0.681

View
Cc1ccncc1NC(=O)COC1CCCCCC1

0.681

View
Cc1ccncc1NC(=O)CCC1CCCC1

0.674

View
Cc1ccncc1NC(=O)CCC1CCC1

0.674

View
Cc1ccncc1NC(=O)CCCC1CC1

0.674

View
CCOCCC(=O)Nc1cnccc1C

0.667

View
Cc1ccncc1NC(=O)COC1CCNCC1

0.667

View
COCCOC1CCC(C(=O)Nc2cnccc2C)CC1

0.660

View
Cc1ccncc1NC(=O)CCC1CCCCC1

0.660

View
Cc1ccncc1NC(=O)CCCC(=O)C1CC1

0.660

View
Cc1ccncc1NC(=O)COC1CCOCC1

0.653

View
Cc1ccncc1NC(=O)COC1CCN(C)CC1

0.653

View
Cc1ccncc1NC(=O)CCOC(C)C

0.652

View
Cc1cnccc1NC(=O)CCCOC1CCC(C)CC1

0.647

View
Cc1ccncc1NC(=O)CCCC1CCC1

0.646

View
Cc1ccncc1NC(=O)CCCC1CCCC1

0.646

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

0.646

View
Cc1ccncc1NC(=O)CCC1CC1(Cl)Cl

0.646

View
Cc1ccncc1NC(=O)CCC1CCNCC1

0.646

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

0.643

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

0.643

View
Cc1ccncc1NC(=O)NCCOC1CCCC1

0.640

View
Cc1ccncc1NC(=O)NCCOC1CCC1

0.640

View
COCCOCCC(=O)Nc1cnccc1C

0.638

View
CCOCCOCCC(=O)Nc1cnccc1C

0.638

View
Cc1ccncc1NC(=O)CCNC1CC1

0.638

View
Cc1ccncc1NC(=O)CCOCCN

0.638

View
Cc1ccncc1NC(=O)CCSCCC(=O)Nc1cnccc1C

0.636

View
Cc1ccncc1NC(=O)CCCCCOC1CCCC(C)C1

0.636

View
CC(=O)Nc1ccncc1NC(=O)CCOC1CCOCC1

0.635

View
COc1ccncc1NC(=O)CCOC1CCOCC1

0.635

View
CCCOC1CCC(NC(=O)C(=O)Nc2cnccc2C)CC1

0.635

View
Cc1ccncc1NC(=O)CCCC1CCCCC1

0.633

View
Cc1ccncc1NC(=O)CCOCc1ccccc1

0.633

View
Cc1ccncc1NC(=O)CCC1CCOCC1

0.633

View
COC1CCC(CC(=O)Nc2cnccc2C)CC1

0.633

View
Cc1ccncc1NC(=O)CCC1CCNC1

0.633

View
Cc1ccncc1NC(=O)CCC1CCCN1

0.633

View
Cc1ccncc1NC(=O)CC[C@@H]1CCCN1

0.633

View
COCCCC(=O)Nc1cnccc1C

0.630

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

0.628

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

0.628

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

0.628

View
O=C(CCOC1CCOCC1)Nc1cnccc1O

0.627

View
Cc1ccncc1NC(=O)NCCOC1CCCCC1

0.627

View
Cc1ccncc1NC(=O)NCCOC1CCCCCC1

0.627

View
Cc1ccncc1NC(=O)C(=O)NCCOC1CCCC1

0.627

View
Cc1ccncc1NC(=O)C(=O)NCCOC1CCC1

0.627

View
Cc1ccc(OCCC(=O)Nc2cnccc2C)cc1

0.625

View
Cc1ccncc1NC(=O)CCOc1ccccc1

0.625

View
Cc1ccncc1NC(=O)CCOc1ccccc1C

0.625

View
Cc1ccncc1NC(=O)CCOc1c(C)cccc1C

0.625

View
Cc1ccncc1NC(=O)CCC(=O)NC1CCCC1

0.625

View
Cc1ccncc1NC(=O)CCOCC1CCCO1

0.623

View
CC(C)(C)Oc1ccncc1NC(=O)CCOC1CCOCC1

0.623

View
CSc1ccncc1NC(=O)CCOC1CCOCC1

0.623

View
Cc1ccncc1NC(=O)CC1CC1

0.622

View
Cc1ccncc1NC(=O)CCC1CCCO1

0.620

View
Cc1ccncc1NC(=O)CC[C@@H]1CCCCN1

0.620

View
COC(=O)CCOC1CCN(C(=O)C(=O)Nc2cnccc2C)CC1

0.618

View
COC(=O)CCCC(=O)Nc1cnccc1C

0.617

View
COCCCCC(=O)Nc1cnccc1C

0.617

View
Cc1ccncc1NC(=O)NCCCOC1CCCC1

0.615

View
COCCOC1CCN(C(=O)Nc2cnccc2C)CC1

0.615

View
Cc1ccncc1NC(=O)NCCCOC1CCC1

0.615

View
Cc1ccncc1NC(=O)N1CCC(OCCO)CC1

0.615

View
Cc1ccncc1NC(=O)C(=O)NCCOC1CCCCC1

0.615

View
Cc1ccncc1NC(=O)C(=O)NCCOC1CCCCCC1

0.615

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

0.614

View
CNC(=O)CCC(=O)Nc1cnccc1C

0.614

View
Cc1ccncc1NC(=O)CCN

0.614

View
COc1ccc(OCCC(=O)Nc2cnccc2C)cc1

0.612

View
Cc1ccncc1NC(=O)CC1C=CCC1

0.612

View
Cc1ccncc1NC(=O)CCOc1ccc(Br)cc1

0.612

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

0.612

View
Cc1ccncc1NC(=O)CCOCC(F)(F)F

0.612

View
COCCCOCCC(=O)Nc1cnccc1C

0.612

View
C#CCOCCC(=O)Nc1cnccc1C

0.612

View
Cc1ccncc1NC(=O)CCOCC(F)F

0.612

View
Cc1ccncc1NC(=O)CCNCC1CC1

0.612

View
Cc1ccncc1NC(=O)CCC1CCOC1

0.608

View
Cc1ccncc1NC(=O)CCCC1CCOCC1

0.608

View
Cc1ccncc1NC(=O)CCC1CCC(C)O1

0.608

View
Cc1ccncc1NC(=O)CCC1CCCNC1

0.608

View
Cc1ccncc1NC(=O)CO[C@H]1CCNC1

0.608

View
Cc1ccncc1NC(=O)CO[C@@H]1CCNC1

0.608

View
Cc1ccncc1NC(=O)CO

0.605

View
COCC(=O)Nc1cnccc1C

0.605

View
CCOCCCC(=O)Nc1cnccc1C

0.604

View
CC(=O)OCCCC(=O)Nc1cnccc1C

0.604

View

C(NC1=C(C)C=CN=C1)(=O)CCOC

0.870

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

0.832

View
C(NC1=C(C)C=CN=C1)(CC1OCCC1)=O

0.804

View
C(NC1=C(C)C=CN=C1)(=O)CC1OCCCC1

0.793

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

0.785

View


Discussion: