CFam Chemical Families Database
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You are searching for "CFAMM00320503" in compound.

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CFAM Mol ID CFAMM00320503
Family CFFBM1200 Neutrophil elastase and Chymotrypsin-C inhibitor benzyl N-[6-(4-chlorophenyl)-2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]pyridin-3-yl]carbamate family
Superfamily CFSBM676 Neutrophil elastase and Chymotrypsin-C Binder Superfamily
Class CFCBM254 Class 3304
External ID CHEMBL113261 External Source CHEMBL
PubChem CID 10257311 Functional Category Bioactive
Molecule Name benzyl N-[6-(4-chlorophenyl)-2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]pyridin-3-yl]carbamate
IUPAC Name benzyl N-[6-(4-chlorophenyl)-2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]pyridin-3-yl]carbamate
Synonyms CHEBI:283551
InChi InChI=1S/C27H25ClF3N3O5/c1-16(2)23(24(36)27(29,30)31)33-22(35)14-34-21(18-8-10-19(28)11-9-18)13-12-20(25(34)37)32-26(38)39-15-17-6-4-3-5-7-17/h3-13,16,23H,14-15H2,1-2H3,(H,32,38)(H,33,35)
InChiKey ZZMAWDGUTREXEU-UHFFFAOYSA-N
Formula C27H25ClF3N3O5 Molecular Weight 563.95
Cross Link CHEMBL113261
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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