Molecule Details

Cc1ccncc1NC(=O)CCCBr
Ordered
Molecular Properties
SMILES:
Cc1ccncc1NC(=O)CCCBr
MW: 257.131
Fraction sp3: 0.4
HBA: 2
HBD: 1
Rotatable Bonds: 4
TPSA: 41.99
cLogP: 2.50362
Covalent Warhead:
Covalent Fragment:
Order Status
Ordered: 2020-03-31
Synthesis Location: enamine
Shipped: synthesis in progress

Filter9_metal

Filter75_alkyl_Br_I

Alkyl Halide

CC(=O)Nc1cnccc1C

MAK-UNK-6435e6c2-8

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Cc1nnc(CN2CCC=C(F)C2)s1

AAR-POS-d2a4d1df-8

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O=C(Nc1ccccc1)Nc1cccnc1

AAR-POS-d2a4d1df-11

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O=C(CC1CCCCC1)Nc1cccnc1

ALE-HEI-f28a35b5-9

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CC(=O)NC(Cc1ccc(O)cc1)C(=O)NCC#CBr

AAR-POS-d2a4d1df-16

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CCC(=N)N

AAR-POS-d2a4d1df-17

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CN1CCN(C(=O)Cc2c[nH]c3ncccc23)CC1

AAR-POS-d2a4d1df-20

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Cc1ccncc1NC(=O)CCCCC(=N)N

PET-SGC-6e7c5dc0-1
0.679

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Cc1ccncc1NC(=O)CCCCC(N)N

ALE-HEI-f28a35b5-10
0.643

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Cc1ccncc1NC(=O)CCl

MAK-UNK-6ca90168-26
0.600

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Cc1ccncc1NC(=O)CCOC1CC1

MAT-POS-590ac91e-10
0.586

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Cc1ccncc1NC(=O)CC#N

ASH-SAT-43770c7d-9
0.566

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Cc1ccncc1NC(=O)CCc1ccn[nH]1

MAT-POS-590ac91e-17
0.550

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Cc1ccncc1NC(=O)Cc1ccccc1

TRY-UNI-714a760b-5
0.544

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Cc1ccc(CC(=O)Nc2cnccc2C)cc1

JAN-GHE-83b26c96-11
0.544

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CC(=O)Nc1cnccc1C

MAK-UNK-6435e6c2-8
0.542

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CC(=O)Nc1cnccc1C

AAR-POS-d2a4d1df-3
0.542

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Cc1ccncc1NC(=O)CCc1ccc(F)cc1

BEN-DND-93268d01-5
0.541

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

MAT-POS-590ac91e-11
0.536

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Cc1ccncc1NC(=O)NCCBr

ALE-HEI-f28a35b5-13
0.536

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Cc1ccncc1NC(=O)CC1(CO)CC1

MAT-POS-590ac91e-6
0.534

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Cc1ccncc1NC(=O)CN1CCOCC1

BEN-DND-93268d01-10
0.533

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

MAK-UNK-372b0df5-3
0.532

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Cc1ccncc1NC(=O)CCc1ccccn1

BEN-DND-93268d01-4
0.532

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Cc1ccncc1NC(=O)CC(O)C1CC1

MAT-POS-590ac91e-7
0.525

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COC1(CC(=O)Nc2cnccc2C)CC1

MAT-POS-590ac91e-9
0.525

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C=CC(=O)Nc1cnccc1C

MAK-UNK-6ca90168-27
0.519

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Cc1ccncc1NC(=O)CC1CCCCC1

EDG-MED-0da5ad92-4
0.517

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Cc1ccncc1NC(=O)Cc1ccsc1

MIH-UNI-6b9ca91a-1
0.517

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Cc1ccncc1NC(=O)CC1CCCCC1

TRY-UNI-714a760b-10
0.517

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Cc1ccncc1NC(=O)CN1CCN(C)CC1

BEN-DND-93268d01-9
0.517

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

GAB-REV-70cc3ca5-21
0.517

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Cc1ccncc1NC(=O)CC1CC2CC2C1

MAT-POS-590ac91e-23
0.517

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Cc1nnc(CC(=O)Nc2cnccc2C)s1

ALE-HEI-f28a35b5-3
0.517

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Cc1ccncc1NC(=O)CC1CCCCC1

ALE-HEI-f28a35b5-6
0.517

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Cc1ccncc1NC(=O)CN1CCCCC1

BEN-DND-93268d01-11
0.517

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Cc1ccncc1NC(=O)CCc1ccccc1F

BEN-DND-93268d01-7
0.516

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

GAB-REV-70cc3ca5-3
0.515

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Cc1ccncc1NC(=O)CC1CC2(CC2)C1

MAT-POS-590ac91e-24
0.508

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

EDJ-MED-c9f55a56-1
0.508

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Cc1ccncc1NC(=O)Cc1cccc(Br)c1

JAN-GHE-83b26c96-12
0.508

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Cc1ccncc1NC(=O)CCc1cccc(Cl)c1

ALP-POS-f13221e1-4
0.508

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Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

EDG-MED-0da5ad92-8
0.500

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Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

TRY-UNI-2eddb1ff-2
0.500

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Cc1ccncc1NC(=O)Cc1ccccc1N

ANN-UNI-98d2bf15-1
0.500

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

MAT-POS-590ac91e-15
0.500

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Cc1ccncc1NC(=O)CCc1cccc(F)c1

BEN-DND-93268d01-6
0.500

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

BEN-DND-93268d01-8
0.500

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

NAT-WAB-78d8bb1c-1
0.493

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

MAK-UNK-372b0df5-2
0.493

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

BEN-DND-93268d01-13
0.492

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Cc1ccncc1NC(=O)Cc1cccc(I)c1

JAN-GHE-83b26c96-13
0.492

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Cc1ccncc1NC(=O)Cc1cccc(Cl)c1

TRY-UNI-714a760b-6
0.492

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Cc1ccncc1NC(=O)Cc1cccc(O)c1

ALP-POS-95b75b4d-2
0.492

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

GAB-REV-70cc3ca5-20
0.492

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Cc1ccncc1NC(=O)Cc1cccc(CO)c1

EDJ-MED-e58735b6-2
0.492

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Cc1ccncc1NC(=O)CCNC(=O)c1ccccc1F

PET-SGC-2e937068-1
0.485

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Cc1ccncc1NC(=O)Cc1cccc(F)c1

ALP-POS-95b75b4d-1
0.484

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

PET-SGC-83d43576-1
0.479

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

DAR-DIA-0cde14eb-2
0.478

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

DAR-DIA-0cde14eb-63
0.478

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Cc1ccncc1NC(=O)CC1CCCNC1

EDG-MED-0da5ad92-9
0.477

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Cc1ccncc1NC(=O)C(C)CC1CC1

MAT-POS-590ac91e-5
0.475

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COc1cccc(CC(=O)Nc2cnccc2C)c1

EDJ-MED-e58735b6-1
0.470

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Cc1ccncc1NC(=O)CC12CCCC1C2

MAT-POS-590ac91e-25
0.470

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CC(C(=O)Nc1cnccc1C)=C1CC1

ERI-UCB-5b47150d-4
0.466

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Cc1ccncc1NC(=O)Cc1cccc(C2CC2)c1

ALP-POS-95b75b4d-4
0.464

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

DAR-DIA-0cde14eb-1
0.464

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

DAR-DIA-0cde14eb-64
0.464

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

DAR-DIA-0cde14eb-61
0.464

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

TRY-UNI-2eddb1ff-1
0.463

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

ALP-POS-95b75b4d-3
0.463

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

DAR-DIA-0cde14eb-76
0.463

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

ANN-UNI-98d2bf15-2
0.463

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

JAN-GHE-83b26c96-14
0.463

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Cc1ccncc1NC(=O)Cc1nc2ccccc2[nH]1

GAB-REV-70cc3ca5-9
0.457

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

DAR-DIA-0cde14eb-62
0.457

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

MAT-POS-590ac91e-2
0.456

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O=C(CCCBr)Nc1cccnc1

ALE-HEI-f28a35b5-14
0.456

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

ERI-UCB-5b47150d-1
0.456

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

MAT-POS-590ac91e-1
0.456

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

TRY-UNI-714a760b-20
0.456

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Cc1ccncc1NC(=O)CNC(=O)Cc1cccnc1

GAB-REV-70cc3ca5-13
0.455

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

MAT-POS-590ac91e-8
0.453

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

ERI-UCB-5b47150d-6
0.452

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Cc1ccc(OCC(=O)N2CCN(CCCCC(=O)Nc3cnccc3C)CC2)cc1

PET-SGC-fedd1f79-1
0.451

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

DAR-DIA-0cde14eb-4
0.451

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

DAR-DIA-0cde14eb-3
0.451

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

DAR-DIA-0cde14eb-78
0.449

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

EDJ-MED-e58735b6-3
0.449

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

MAT-POS-c9973a83-1
0.449

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

DAR-DIA-0cde14eb-79
0.449

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

RAL-THA-6b94ceba-6
0.449

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Cc1ccncc1NC(=O)CCc1nc2cc(Cl)ccc2o1

GAB-REV-70cc3ca5-22
0.447

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Cc1ccncc1NC(=O)Cc1cccc(CN2CCOCC2)c1

SAD-SAT-7d5528d9-1
0.446

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

MAT-POS-e501d84c-1
0.446

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Cc1ccncc1NC(=O)CCNc1ccc2[nH]ncc2c1

GAB-REV-70cc3ca5-12
0.446

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

MAT-POS-590ac91e-12
0.444

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Cc1ccncc1NC(=O)C1CCC12CCC2

MAT-POS-590ac91e-22
0.444

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Cc1ccncc1NC(=O)CNC1(c2ccccc2)CCCCC1

WAR-XCH-e55cba98-11
0.444

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

ANN-UNI-98d2bf15-5
0.443

View
Cc1ccncc1NC(=O)N1CCN(C)CC1

SCO-VAN-260d9628-1
0.443

View
Cc1ccncc1NC(=O)N1CCN(C)CC1

ALE-HEI-f28a35b5-17
0.443

View
Cc1ccncc1NC(=O)C(C#N)CC1CC1

MAT-POS-590ac91e-14
0.439

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

DAR-DIA-0cde14eb-74
0.438

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Cc1ccncc1NC(=O)Cc1ccccc1Cc1ccccn1

THO-SYG-cc9e9a11-1
0.437

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Cc1ccncc1NC(=O)Cc1ccc2[nH]ncc2c1

VLA-UCB-00f2c2b3-2
0.437

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Cc1ccncc1NC(=O)CCCCC(=O)Nc1cnccc1C

0.853

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Cc1ccncc1NC(=O)CCCC(=O)Nc1cnccc1C

0.853

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Cc1ccncc1NC(=O)CCCCCC(=O)Nc1cnccc1C

0.829

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

0.829

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

0.829

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CCCCC(=O)Nc1cnccc1C

0.784

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CNCCCCC(=O)Nc1cnccc1C

0.769

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CCCCCC(=O)Nc1cnccc1C

0.763

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CC(=O)CCCC(=O)Nc1cnccc1C

0.763

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CNC(=O)CCCCC(=O)Nc1cnccc1C

0.763

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CNC(=O)CCCC(=O)Nc1cnccc1C

0.763

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Cc1ccncc1NC(=O)CCCN

0.763

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CCCCCCCCC(=O)Nc1cnccc1C

0.744

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CCCCCCCC(=O)Nc1cnccc1C

0.744

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CCCCCCCCCC(=O)Nc1cnccc1C

0.744

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CCCCCCC(=O)Nc1cnccc1C

0.744

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Cc1ccncc1NC(=O)CCCC(N)=O

0.744

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Cc1ccncc1NC(=O)CCCC(C)(C)C

0.744

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CC(=O)CCCCCCC(=O)Nc1cnccc1C

0.744

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Cc1ccncc1NC(=O)CCCCO

0.744

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Cc1ccncc1NC(=O)CCCC(=O)O

0.744

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Cc1ccncc1NC(=O)CCCCC(=O)O

0.744

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CNCCC(=O)Nc1cnccc1C

0.737

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Cc1ccncc1NC(=O)CCCC(C)C

0.725

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COCCCC(=O)Nc1cnccc1C

0.725

View
CCNC(=O)CCCC(=O)Nc1cnccc1C

0.725

View
Cc1ccncc1NC(=O)CCCCN(C)C

0.725

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Cc1ccncc1NC(=O)CCCCC(C)(C)C

0.725

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C=C(C)CCCC(=O)Nc1cnccc1C

0.725

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Cc1ccncc1NC(=O)CCC[Si](C)(C)C

0.725

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Cc1ccncc1NC(=O)CCCCCO

0.725

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Cc1ccncc1NC(=O)CCCCCCN

0.725

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Cc1ccncc1NC(=O)CCCCCN

0.725

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Cc1ccncc1NC(=O)CCCCCCCCCN

0.725

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CC(=O)CCC(=O)Nc1cnccc1C

0.711

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CNC(=O)CCC(=O)Nc1cnccc1C

0.711

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Cc1ccncc1NC(=O)CCN

0.711

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C=CCCCC(=O)Nc1cnccc1C

0.707

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

0.707

View
C#CCCCC(=O)Nc1cnccc1C

0.707

View
Cc1ccncc1NC(=O)CCCC(F)(F)F

0.707

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COCCCCC(=O)Nc1cnccc1C

0.707

View
Cc1ccncc1NC(=O)CCCS(C)(=O)=O

0.707

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

0.707

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

0.707

View
Cc1ccncc1NC(=O)CCCCC(C)C

0.707

View
Cc1ccncc1NC(=O)CCCC#N

0.707

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Cc1ccncc1NC(=O)CCCC(=O)C(C)(C)C

0.707

View
CSCCCCC(=O)Nc1cnccc1C

0.707

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

0.692

View
Cc1ccncc1NC(=O)CCC(N)=O

0.692

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

0.692

View
C#CCCCCC(=O)Nc1cnccc1C

0.690

View
Cc1ccncc1NC(=O)CCCc1ccccc1

0.690

View
CCOCCCC(=O)Nc1cnccc1C

0.690

View
CCCNC(=O)CCCC(=O)Nc1cnccc1C

0.690

View
Cc1ccncc1NC(=O)CCCCCC(C)C

0.690

View
Cc1ccncc1NC(=O)CCCCC#N

0.690

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CC(=O)OCCCC(=O)Nc1cnccc1C

0.690

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

0.690

View
CC#CCCCC(=O)Nc1cnccc1C

0.690

View
Cc1ccncc1NC(=O)CCCC1CC1

0.690

View
Cc1ccncc1NC(=O)CCCn1cccc1

0.690

View
Cc1ccncc1NC(=O)CCCCCC(=O)Nc1ccccc1

0.690

View
Cc1ccncc1NC(=O)CCCOC(C)(C)C

0.690

View
CNCC(=O)Nc1cnccc1C

0.684

View
Cc1ccncc1NC(=O)CCCCc1ccc(Br)cc1

0.682

View
Cc1ccncc1NC(=O)CCCC(=O)c1ccc(Br)cc1

0.682

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Cc1ccncc1NC(=O)CN

0.676

View
Cc1ccncc1NC(=O)CCl

0.676

View
CSCCC(=O)Nc1cnccc1C

0.675

View
Cc1ccncc1NC(=O)CCC(C)C

0.675

View
COCCC(=O)Nc1cnccc1C

0.675

View
Cc1ccncc1NC(=O)CCc1ccncc1

0.675

View
CCNC(=O)CCC(=O)Nc1cnccc1C

0.675

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

0.675

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

0.675

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

0.674

View
Cc1ccncc1NC(=O)CCCCNC(N)=O

0.674

View
Cc1ccncc1NC(=O)CCCCc1ccccc1

0.674

View
Cc1ccc(CCCCC(=O)Nc2cnccc2C)cc1

0.674

View
Cc1ccncc1NC(=O)CCCOC(C)C

0.674

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

0.674

View
CCCN(CCC)CCCC(=O)Nc1cnccc1C

0.674

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

0.674

View
Cc1ccncc1NC(=O)CCCCCC#N

0.674

View
Cc1ccncc1NC(=O)CCCc1ccc(O)cc1

0.674

View
C#CCCCCCC(=O)Nc1cnccc1C

0.674

View
Cc1ccncc1NC(=O)CCCSC(C)(C)C

0.674

View
Cc1ccncc1NC(=O)CCCc1cccnc1

0.674

View
CCCOCCCC(=O)Nc1cnccc1C

0.674

View
Cc1ccncc1NC(=O)CCCSc1ccc(Br)cc1

0.667

View
Cc1ccncc1NC(=O)CCCc1ccccc1Br

0.667

View
Cc1ccncc1NC(=O)CCCNC(=O)C(C)(C)C

0.659

View
Cc1ccncc1NC(=O)CCCc1ccc(F)cc1

0.659

View
Cc1ccncc1NC(=O)CCCN1C(=O)CCC1=O

0.659

View
Cc1ccncc1NC(=O)CCCc1ccc(Cl)cc1

0.659

View
Cc1cc(C)c(C(=O)CCCC(=O)Nc2cnccc2C)c(C)c1

0.659

View
Cc1ccncc1NC(=O)CCCCN1CCCC1

0.659

View
Cc1ccncc1NC(=O)CCCn1ccnc1

0.659

View

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

0.956

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

0.924

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

0.916

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

0.899

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

0.893

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