CFam Chemical Families Database
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You are searching for "CFAMM00116511" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00116511
Family CFFAD997 Angiotensin-converting enzyme Inhibitor Temocapril Family
Superfamily CFSAD841 Angiotensin-converting enzyme Inhibitor Temocapril Superfamily
Class CFCAD745 Class 745
External ID CHEMBL302181 External Source CHEMBL
PubChem CID 44302782 Functional Category Bioactive
Molecule Name (2S)-2-[[(6R)-4-(carboxymethyl)-5-oxo-3-thiophen-2-yl-1,4-thiazepan-6-yl]amino]-4-phenylbutanoic acid
IUPAC Name (2S)-2-[[(6R)-4-(carboxymethyl)-5-oxo-3-thiophen-2-yl-1,4-thiazepan-6-yl]amino]-4-phenylbutanoic acid
Synonyms CHEBI:194347
InChi InChI=1S/C21H24N2O5S2/c24-19(25)11-23-17(18-7-4-10-30-18)13-29-12-16(20(23)26)22-15(21(27)28)9-8-14-5-2-1-3-6-14/h1-7,10,15-17,22H,8-9,11-13H2,(H,24,25)(H,27,28)/t15-,16-,17?/m0/s1
InChiKey DDZAWUSTAAZYBS-PYNWJHIZSA-N
Formula C21H24N2O5S2 Molecular Weight 448.56
Cross Link CHEMBL302181
Structure

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).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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