CFam Chemical Families Database
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You are searching for "CFAMM00314548" in compound.

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CFAM Mol ID CFAMM00314548
Family CFFBM717 Prolyl endopeptidase inhibitor SureCN194654 family
Superfamily CFSID2645 Prolyl endopeptidase Inhibitor SUAM-1221 Superfamily
Class CFCAD634 Class 634
External ID CHEMBL311472 External Source CHEMBL
PubChem CID 44316453 Functional Category Bioactive
Molecule Name [(2S,3aS,7aS)-2-(1,3-thiazolidine-3-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone
IUPAC Name [(2S,3aS,7aS)-2-(1,3-thiazolidine-3-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone
Synonyms CHEBI:225012
InChi InChI=1S/C22H28N2O2S/c25-21(18-13-17(18)15-6-2-1-3-7-15)24-19-9-5-4-8-16(19)12-20(24)22(26)23-10-11-27-14-23/h1-3,6-7,16-20H,4-5,8-14H2/t16-,17+,18+,19-,20-/m0/s1
InChiKey NXSXRIHXEQSYEZ-MDMHHNQBSA-N
Formula C22H28N2O2S Molecular Weight 384.53
Cross Link CHEMBL311472
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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