CFam Chemical Families Database
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You are searching for "CFAMM00420439" in compound.

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CFAM Mol ID CFAMM00420439
Family CFFBM13098 Cathepsin S inhibitor (2S,4R)-4-(benzenesulfonyl)-N-[1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxamide family
Superfamily CFSID469 Chymase Inhibitor Y-40613 Superfamily
Class CFCCD15 Class 828
External ID CHEMBL2380722 External Source CHEMBL
PubChem CID 71624241 Functional Category Bioactive
Molecule Name (2S,4R)-4-(benzenesulfonyl)-N-[1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carboxamide
IUPAC Name (2S,4R)-4-(benzenesulfonyl)-N-[1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carboxamide
Synonyms
InChi InChI=1S/C27H30N4O6S/c1-2-20(24(32)26-29-21-12-6-7-13-23(21)37-26)28-25(33)22-16-19(38(35,36)18-10-4-3-5-11-18)17-31(22)27(34)30-14-8-9-15-30/h3-7,10-13,19-20,22H,2,8-9,14-17H2,1H3,(H,28,33)/t19-,20?,22+/m1/s1
InChiKey HTGFHWCBVMGVCC-OBIJOXKXSA-N
Formula C27H30N4O6S Molecular Weight 538.62
Cross Link CHEMBL2380722
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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