Molecule Details

Cc1ccncc1NC(=O)CCc1ccccc1F
Enamine Mcule Assayed
Molecular Properties
SMILES:
Cc1ccncc1NC(=O)CCc1ccccc1F
MW: 258.12
Fraction sp3: 0.2
HBA: 2
HBD: 1
Rotatable Bonds: 4
TPSA: 41.99
cLogP: 3.1
Covalent Warhead:
Covalent Fragment:
Source
Enamine REAL: Z1129284855
Enamine Extended REAL: s_22____3391102____94787
Mcule Ultimate: QOFPSTBMBIOUPW-UHFFFAOYSA-N
Activity Data
Average Inhibition @ 20 µM - Fluorescence: -45.83645
Average Inhibition @ 50 µM - Fluorescence: 4.126884
Average Inhibition @ 50 µM - RapidFire: 3.64
Relative Solubility @ 20 µM: 1.0
Relative Solubility @ 100 µM: 1.0
Order Status
Ordered: 2020-05-17
Synthesis Location: enamine
Shipped: 2020-06-24
CS(=O)(=O)NCCc1ccccc1

AAR-POS-d2a4d1df-1

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Cc1ccncc1NC(=O)CCc1ccc(F)cc1

BEN-DND-93268d01-5
0.567

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Cc1ccncc1NC(=O)CCc1ccccn1

BEN-DND-93268d01-4
0.559

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Cc1ccncc1NC(=O)CCNC(=O)c1ccccc1F

PET-SGC-2e937068-1
0.556

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Cc1ccncc1NC(=O)Cc1ccccc1N

ANN-UNI-98d2bf15-1
0.552

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Cc1ccncc1NC(=O)CCc1cccc(F)c1

BEN-DND-93268d01-6
0.549

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Cc1ccncc1NC(=O)Cc1ccccc1

TRY-UNI-714a760b-5
0.547

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Cc1ccncc1NC(=O)CCc1ccn[nH]1

MAT-POS-590ac91e-17
0.529

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

PET-SGC-83d43576-1
0.526

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Cc1ccncc1NC(=O)CCCBr

ALE-HEI-f28a35b5-12
0.516

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Cc1ccncc1NC(=O)CCc1cccc(Cl)c1

ALP-POS-f13221e1-4
0.514

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Cc1ccncc1NC(=O)Cc1cccc(F)c1

ALP-POS-95b75b4d-1
0.493

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Cc1ccncc1NC(=O)Cc1cccc(Br)c1

JAN-GHE-83b26c96-12
0.493

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Cc1ccncc1NC(=O)CCOC1CC1

MAT-POS-590ac91e-10
0.493

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Cc1ccncc1NC(=O)CCCCC(=N)N

PET-SGC-6e7c5dc0-1
0.493

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

MAT-POS-590ac91e-11
0.492

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Cc1ccncc1NC(=O)CC#N

ASH-SAT-43770c7d-9
0.492

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Cc1ccncc1NC(=O)CCl

MAK-UNK-6ca90168-26
0.492

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Cc1ccncc1NC(=O)Cc1ccccc1Cc1ccccn1

THO-SYG-cc9e9a11-1
0.487

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

GAB-REV-70cc3ca5-3
0.480

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

BEN-DND-93268d01-13
0.479

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Cc1nnc(CC(=O)Nc2cnccc2C)s1

ALE-HEI-f28a35b5-3
0.478

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Cc1ccc(CC(=O)Nc2cnccc2C)cc1

JAN-GHE-83b26c96-11
0.478

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

PET-SGC-d0fd10df-1
0.476

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Cc1ccncc1NC(=O)Cc1cc(Cl)cc(OCc2ccc(OCc3ccccc3F)cc2)c1

CHO-MSK-6e55470f-21
0.473

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Cc1ccncc1NC(=O)CCCCC(N)N

ALE-HEI-f28a35b5-10
0.471

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Cc1ccncc1NC(=O)Cc1ccccc1-c1ccccn1

THO-SYG-cc9e9a11-2
0.462

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

DAR-DIA-0cde14eb-79
0.461

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Cc1ccncc1NC(=O)Cc1cccc(CO)c1

EDJ-MED-e58735b6-2
0.458

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Cc1ccncc1NC(=O)Cc1cccc(O)c1

ALP-POS-95b75b4d-2
0.458

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Cc1ccncc1NC(=O)Cc1cccc(I)c1

JAN-GHE-83b26c96-13
0.458

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Cc1ccncc1NC(=O)Cc1cccc(Cl)c1

TRY-UNI-714a760b-6
0.458

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Cc1ccncc1NC(=O)Cc1ccsc1

MIH-UNI-6b9ca91a-1
0.457

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

GAB-REV-70cc3ca5-21
0.457

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

JAN-GHE-83b26c96-14
0.453

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

ALP-POS-95b75b4d-3
0.453

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

DAR-DIA-0cde14eb-76
0.453

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

MAK-UNK-372b0df5-3
0.452

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Cc1ccncc1NC(=O)CC1CC2(CC2)C1

MAT-POS-590ac91e-24
0.451

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

EDJ-MED-c9f55a56-1
0.451

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Cc1ccncc1NC(=O)CC1(CO)CC1

MAT-POS-590ac91e-6
0.449

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

DAR-DIA-0cde14eb-2
0.449

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Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

EDG-MED-0da5ad92-8
0.444

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Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

TRY-UNI-2eddb1ff-2
0.444

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

MAT-POS-590ac91e-15
0.444

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Cc1ccncc1NC(=O)CC(O)C1CC1

MAT-POS-590ac91e-7
0.443

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COC1(CC(=O)Nc2cnccc2C)CC1

MAT-POS-590ac91e-9
0.443

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Cc1ccncc1NC(=O)Nc1ccccc1

TRY-UNI-714a760b-4
0.441

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Cc1ccncc1NC(=O)Nc1ccccc1

ALE-HEI-f28a35b5-1
0.441

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CC(=O)Nc1cnccc1C

AAR-POS-d2a4d1df-3
0.441

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CC(=O)Nc1cnccc1C

MAK-UNK-6435e6c2-8
0.441

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Cc1ccncc1NC(=O)CCc1nc2cc(Cl)ccc2o1

GAB-REV-70cc3ca5-22
0.440

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COc1cccc(CC(=O)Nc2cnccc2C)c1

EDJ-MED-e58735b6-1
0.440

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Cc1ccncc1NC(=O)CCNc1ccc2[nH]ncc2c1

GAB-REV-70cc3ca5-12
0.439

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

GAB-REV-70cc3ca5-20
0.438

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Cc1ccncc1NC(=O)CC1CC2CC2C1

MAT-POS-590ac91e-23
0.437

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Cc1ccncc1NC(=O)Cc1cccc(C2CC2)c1

ALP-POS-95b75b4d-4
0.436

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

DAR-DIA-0cde14eb-1
0.436

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

ANN-UNI-98d2bf15-5
0.436

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

ANN-UNI-98d2bf15-2
0.434

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Cc1ccncc1NC(=O)Cc1ccccc1CN1CCC(O)CC1

SAM-UNK-2684b532-9
0.434

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Cc1ccncc1NC(=O)Cc1nc2ccccc2[nH]1

GAB-REV-70cc3ca5-9
0.430

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

DAR-DIA-0cde14eb-62
0.430

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

DAR-DIA-0cde14eb-63
0.430

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

TRY-UNI-714a760b-20
0.429

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

DAR-DIA-0cde14eb-14
0.427

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Cc1ccncc1NC(=O)CNC(=O)Cc1cccnc1

GAB-REV-70cc3ca5-13
0.427

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

DAR-DIA-0cde14eb-4
0.425

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

DAR-DIA-0cde14eb-77
0.425

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

DAR-DIA-0cde14eb-3
0.425

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

BEN-DND-93268d01-8
0.425

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

DAR-DIA-0cde14eb-78
0.423

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

EDJ-MED-e58735b6-3
0.423

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

MAT-POS-c9973a83-1
0.423

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CNS(=O)(=O)Cc1cc(Cl)cc(CC(=O)Nc2cnccc2C)c1

RAL-THA-6b94ceba-16
0.420

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Cc1ccncc1NC(=O)CNC1(c2ccccc2)CCCCC1

WAR-XCH-e55cba98-11
0.420

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Cc1ccncc1NC(=O)Nc1ccccc1CCNS(C)(=O)=O

SIM-DEM-f31d0e65-1
0.418

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

DAR-DIA-0cde14eb-64
0.418

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

DAR-DIA-0cde14eb-61
0.418

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Cc1ccncc1NC(=O)CC1CCCCC1

ALE-HEI-f28a35b5-6
0.417

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Cc1ccncc1NC(=O)CN1CCCCC1

BEN-DND-93268d01-11
0.417

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Cc1ccncc1NC(=O)C(F)c1ccccc1

ABI-SAT-4d06482b-1
0.417

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Cc1ccncc1NC(=O)CN1CCN(C)CC1

BEN-DND-93268d01-9
0.417

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Cc1ccncc1NC(=O)CC1CCCCC1

EDG-MED-0da5ad92-4
0.417

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Cc1ccncc1NC(=O)CC1CCCCC1

TRY-UNI-714a760b-10
0.417

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

TRY-UNI-2eddb1ff-1
0.416

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CC(=O)NCc1cc2c(cc1CCCC(=O)Nc1cnccc1C)OCO2

NAT-WAB-78d8bb1c-1
0.414

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Cc1ccncc1NC(=O)CN1CCOCC1

BEN-DND-93268d01-10
0.411

View
Cc1ccncc1NC(=O)C(CO)c1ccccc1

BEN-DND-93268d01-3
0.411

View
CCCCOc1ccc(Cl)cc1CC(=O)Nc1cnccc1C

EDG-MED-0da5ad92-7
0.410

View
Cc1ccncc1NC(=O)Cc1cccc2c1CNCC2

ADA-UCB-6c2cb422-4
0.410

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

THO-SYG-cc9e9a11-3
0.409

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

RAL-THA-6b94ceba-5
0.407

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

MAK-UNK-372b0df5-2
0.407

View
Cc1ccncc1NC(=O)Cc1nc2cccc(C)c2o1

GAB-REV-70cc3ca5-23
0.407

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

RAL-THA-6b94ceba-15
0.407

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C=CC(=O)Nc1cnccc1C

MAK-UNK-6ca90168-27
0.406

View
Cc1ccncc1NC(=O)NCCBr

ALE-HEI-f28a35b5-13
0.406

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

RAL-THA-6b94ceba-6
0.405

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

MAT-POS-590ac91e-2
0.403

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

ERI-UCB-5b47150d-1
0.403

View
Cc1ccncc1NC(=O)CCc1ccccc1F

1.000

View
Cc1ccncc1NC(=O)CCc1cccc(F)c1F

0.841

View
Cc1cnccc1NC(=O)CCc1ccccc1F

0.818

View
Cc1ccccc1CCC(=O)Nc1cnccc1C

0.791

View
Cc1ccncc1NC(=O)Cc1ccccc1F

0.773

View
O=C(CCc1ccccc1F)Nc1ccncc1F

0.750

View
CC(=O)Nc1ccncc1NC(=O)CCc1ccccc1F

0.745

View
Cc1ccncc1NC(=O)CCc1cc(F)ccc1F

0.745

View
Cc1ccncc1NC(=O)CCc1ccc(F)cc1F

0.745

View
Cc1ccncc1NC(=O)CCc1ccccc1Cl

0.739

View
Cc1ccncc1NC(=O)CCc1ccccc1Br

0.739

View
O=C(CCc1ccccc1F)Nc1cnccc1O

0.739

View
Cc1ccncc1NC(=O)CCc1ccccc1CN

0.739

View
Cc1cnncc1NC(=O)CCc1ccccc1F

0.733

View
COc1ccncc1NC(=O)CCc1ccccc1F

0.729

View
CSc1ccncc1NC(=O)CCc1ccccc1F

0.729

View
CCc1cnccc1NC(=O)CCc1ccccc1F

0.723

View
COc1ccccc1CCC(=O)Nc1cnccc1C

0.723

View
Cc1ccccc1NC(=O)CCc1ccccc1F

0.721

View
Cc1ccncc1NC(=O)CCc1ccc(Br)cc1F

0.714

View
Cc1ccncc1NC(=O)CCc1cc(Br)ccc1F

0.714

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Cc1ccc(-c2ccncc2)cc1NC(=O)CCc1ccccc1F

0.714

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CC(C)(C)Oc1ccncc1NC(=O)CCc1ccccc1F

0.714

View
O=C(CCc1ccccc1F)Nc1cnccc1-c1ccccc1

0.708

View
Cc1ccncc1NC(=O)CCc1ccccc1C(N)=O

0.708

View
Cc1ccncc1CCNC(=O)CCc1ccccc1F

0.708

View
Cc1ccncc1NC(=O)NCCc1ccccc1F

0.708

View
Cc1ccc(-c2cccnc2)cc1NC(=O)CCc1ccccc1F

0.706

View
O=C(CCc1ccccc1F)Nc1ccncc1Br

0.702

View
Cc1ccccc1CCC(=O)Nc1ccncc1F

0.702

View
O=C(CCc1ccccc1F)Nc1ccncc1I

0.702

View
O=C(CCc1ccccc1F)Nc1ccncc1O

0.702

View
Cc1ccncc1NC(=O)CCc1ccccc1OC(F)(F)F

0.700

View
CCOc1ccccc1CCC(=O)Nc1cnccc1C

0.694

View
Cc1ccncc1NC(=O)C(=O)NCCc1ccccc1F

0.694

View
Cc1nccn1-c1ccncc1NC(=O)CCc1ccccc1F

0.692

View
Cc1ccncc1NC(=O)CCc1ccccc1

0.689

View
Cc1ccncc1NC(=O)CCCc1c(F)cccc1F

0.688

View
Cc1ccncc1CNC(=O)CCc1ccccc1F

0.688

View
Cc1cnccc1NC(=O)CCc1cccc(F)c1F

0.688

View
COc1cccc(CCC(=O)Nc2cnccc2C)c1F

0.686

View
Cc1ccncc1NC(=O)Cc1cccc(F)c1F

0.681

View
Cc1ccncc1NC(=O)CCc1ccccc1[N+](=O)[O-]

0.680

View
Cc1ccncc1NC(=O)C(C)CCc1ccccc1F

0.680

View
COC(=O)c1ccccc1CCC(=O)Nc1cnccc1C

0.680

View
Cc1ccncc1NC(=O)N(C)CCc1ccccc1F

0.680

View
Cc1ccncc1NC(=O)NCCCc1ccccc1F

0.680

View
Cc1cnn(-c2ccncc2NC(=O)CCc2ccccc2F)c1

0.679

View
Cc1cncc(C)c1NC(=O)CCc1ccccc1F

0.674

View
N#Cc1cnccc1NC(=O)CCc1ccccc1F

0.673

View
Cc1ccncc1NC(=O)CCSc1ccccc1F

0.673

View
Cc1cc(Br)ncc1NC(=O)CCc1ccccc1F

0.673

View
O=C(CCc1ccccc1F)Nc1cnccc1Oc1ccccc1

0.667

View
Cc1cc(C(F)(F)F)ncc1NC(=O)CCc1ccccc1F

0.667

View
Cc1ccncc1NC(=O)CCc1ccc(-c2ccccc2)cc1

0.667

View
Cc1ccncc1NC(=O)CCc1ccccc1N=[N+]=[N-]

0.667

View
Cc1ccncc1NC(=O)NCc1ccccc1F

0.667

View
Cc1ccncc1NC(=O)C(=O)NCCCc1ccccc1F

0.667

View
CN1CCN(c2ccncc2NC(=O)CCc2ccccc2F)CC1

0.660

View
O=C(CCc1ccccc1F)Nc1ccnc2ccncc12

0.660

View
O=C(CCc1ccccc1F)Nc1cccc2ccncc12

0.660

View
Cc1ccncc1NC(=O)CCOc1ccccc1F

0.660

View
Cc1ccncc1NC(=O)CCc1c[nH]c2ccccc12

0.660

View
Cc1ccncc1NC(=O)CCc1cncc2ccccc12

0.660

View
Cc1cc(Cl)ncc1NC(=O)CCc1ccccc1F

0.660

View
O=C(CCc1ccccc1F)Nc1cccc2cnccc12

0.660

View
Cc1ccncc1NC(=O)NNC(=O)Cc1ccccc1F

0.660

View
Cc1ccc(C)c(NC(=O)CCc2ccccc2F)c1

0.660

View
Cc1ccc(F)cc1NC(=O)CCc1ccccc1F

0.660

View
Cc1ccncc1NC(=O)CCc1ccc(F)cc1

0.660

View
O=C(CCc1ccccc1F)Nc1cnccc1-n1cccn1

0.654

View
Cc1ccncc1NC(=O)NC(C)CCc1ccccc1F

0.654

View
Cc1ccncc1NC(=O)C(=O)N(C)CCc1ccccc1F

0.654

View
Cc1cc(NC(=O)CCc2ccccc2F)c(C)cn1

0.653

View
Cc1ccncc1NC(=O)CCc1cn(C)nc1C

0.653

View
Cc1cnccc1CNC(=O)CCc1ccccc1F

0.653

View
Cc1ccncc1NC(=O)C(=O)NCc1ccccc1F

0.653

View
Cc1ccncc1NC(=O)CCc1ccc(-c2ccccc2F)o1

0.648

View
Cc1ccncc1NC(=O)CCc1cn(C)c2ccccc12

0.647

View
Cc1ccncc1NC(=O)CCCc1cc(F)ccc1F

0.647

View
Cc1ccncc1NC(=O)CCc1cc(F)ccc1Br

0.647

View
Cc1ccncc1C(C)NC(=O)CCc1ccccc1F

0.647

View
CCN(Cc1ccccc1F)C(=O)Nc1cnccc1C

0.647

View
Cc1ccncc1NC(=O)C(=O)NNC(=O)Cc1ccccc1F

0.647

View
Cc1nnccc1NC(=O)CCc1ccccc1F

0.646

View
Cc1ncccc1NC(=O)CCc1ccccc1F

0.646

View
Cc1ccncc1NC(=O)CCc1ccco1

0.646

View
Cc1ccc(CCC(=O)Nc2cnccc2C)c(C)c1

0.646

View
Cc1ccncc1NC(=O)CCc1ccccn1

0.646

View
O=C(CCc1ccccc1F)Nc1cncc2ccccc12

0.646

View
O=C(CCc1ccccc1F)Nc1ccncc1

0.644

View
Cc1ccncc1NC(=O)CCc1ccncc1

0.644

View
O=C(CCc1ccccc1F)Nc1cnccc1-c1cccc(F)c1

0.642

View
Cc1ccncc1NC(=O)CCc1ccccc1NC(=O)OC(C)(C)C

0.642

View
Cc1ccc(-c2cncc(F)c2)cc1NC(=O)CCc1ccccc1F

0.642

View
Cc1ccncc1NC(=O)C(=O)NC(C)CCc1ccccc1F

0.642

View
Cc1ccncc1NC(=O)C(C)Cc1ccccc1F

0.640

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Cc1ccncc1NC(=O)CCCc1ccccc1Cl

0.640

View
Cc1ccncc1NC(=O)CCCc1ccccc1Br

0.640

View
Cc1cnccc1CCNC(=O)CCc1ccccc1F

0.640

View
O=C(CCc1ccccc1F)Nc1cnccc1-c1cccc(F)c1

0.199

View
O=C(CCc1cccc(F)c1)Nc1cccnc1

0.199

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O=C(CCc1ccc(F)cc1)Nc1cccnc1

0.178

View
O=C(CCc1cccc(F)c1F)Nc1cccnc1

0.147

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O=C(CCc1ccccc1F)Nc1cccnc1

0.092

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C(NC1=C(C)C=CN=C1)(=O)CCC1=C(F)C=CC=C1

1.000

View
C(NC1=C(C)C=CN=C1)(=O)CCC1=CC=C(F)C=C1

0.931

View
C(NC1=C(C)C=CN=C1)(=O)CCC1=CC=CC(F)=C1

0.922

View
C(NC1=C(C)C=CN=C1)(=O)CCC1=CC(F)=C(C)C=C1

0.910

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C(NC1=C(C)C=CN=C1)(=O)CCC1=C(F)C=C(F)C=C1

0.910

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