CFam Chemical Families Database
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You are searching for "CFAMM00328412" in compound.

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CFAM Mol ID CFAMM00328412
Family CFFBM1872 Caspase-1 inhibitor (3S)-4-oxo-3-[[(2S)-4-oxo-2-propan-2-yl-4-(2-quinolin-4-ylethylamino)butanoyl]amino]butanoic acid family
Superfamily CFSBM1069 Caspase-1 and Trypsin-1 Binder Superfamily
Class CFCCD314 Class 1127
External ID CHEMBL1221811 External Source CHEMBL
PubChem CID 49864448 Functional Category Bioactive
Molecule Name (3S)-3-[[(2S)-4-(2-isoquinolin-4-ylethylamino)-4-oxo-2-propan-2-ylbutanoyl]amino]-4-oxobutanoic acid
IUPAC Name (3S)-3-[[(2S)-4-(2-isoquinolin-4-ylethylamino)-4-oxo-2-propan-2-ylbutanoyl]amino]-4-oxobutanoic acid
Synonyms CHEBI:788241
InChi InChI=1S/C22H27N3O5/c1-14(2)19(22(30)25-17(13-26)9-21(28)29)10-20(27)24-8-7-16-12-23-11-15-5-3-4-6-18(15)16/h3-6,11-14,17,19H,7-10H2,1-2H3,(H,24,27)(H,25,30)(H,28,29)/t17-,19-/m0/s1
Formula C22H27N3O5 Molecular Weight 413.47
Cross Link CHEMBL1221811

Statistics of CFAM Database

CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.

How to cite our database

C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).

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