CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00091287" in compound.

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CFAM Mol ID CFAMM00091287
Family CFFAD646 Angiotensin-converting enzyme inhibitor Dicarboxylate-containing Cilazapril Family
Superfamily CFSAD369 Angiotensin-converting enzyme inhibitor Enalapril Fosinopril Cilazapril Spirapril Superfamily
Class CFCAD347 Class 347
External ID CHEMBL290754 External Source CHEMBL
PubChem CID 44287019 Functional Category Bioactive
Molecule Name (4S,7S,10aS)-5-oxo-4-[[(2S)-3-phenyl-2-sulfanylpropanoyl]amino]-2,3,4,7,8,9,10,10a-octahydropyrido[2,1-b][1,3]oxazepine-7-carboxylic acid;ethyl acetate
IUPAC Name (4S,7S,10aS)-5-oxo-4-[[(2S)-3-phenyl-2-sulfanylpropanoyl]amino]-2,3,4,7,8,9,10,10a-octahydropyrido[2,1-b][1,3]oxazepine-7-carboxylic acid;ethyl acetate
InChi InChI=1S/C19H24N2O5S.C4H8O2/c22-17(15(27)11-12-5-2-1-3-6-12)20-13-9-10-26-16-8-4-7-14(19(24)25)21(16)18(13)23;1-3-6-4(2)5/h1-3,5-6,13-16,27H,4,7-11H2,(H,20,22)(H,24,25);3H2,1-2H3/t13-,14-,15-,16-;/m0./s1
Formula C19H24N2O5S.C4H8O2 Molecular Weight 480.57
Cross Link CHEMBL290754

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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National University of Singapore, Singapore

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