CFam Chemical Families Database
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You are searching for "CFAMM00317488" in compound.

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CFAM Mol ID CFAMM00317488
Family CFFBM930 Transient receptor potential cation channel subfamily V member 1 ligand (2E,4E)-5-(1,3-benzodioxol-5-yl)-N-(4-chlorophenyl)penta-2,4-dienamide family
Superfamily CFSBM531 Cathepsin B and Cathepsin L1 Binder Superfamily 2
Class CFCBM207 Class 3257
External ID CHEMBL191578 External Source CHEMBL
PubChem CID 10117653 Functional Category Bioactive
Molecule Name methyl (E)-3-[3-[[4-(1,3-benzodioxol-5-yl)phenyl]methyl-(cyclohexanecarbonyl)amino]phenyl]prop-2-enoate
IUPAC Name methyl (E)-3-[3-[[4-(1,3-benzodioxol-5-yl)phenyl]methyl-(cyclohexanecarbonyl)amino]phenyl]prop-2-enoate
Synonyms CHEBI:418577
InChi InChI=1S/C31H31NO5/c1-35-30(33)17-12-22-6-5-9-27(18-22)32(31(34)25-7-3-2-4-8-25)20-23-10-13-24(14-11-23)26-15-16-28-29(19-26)37-21-36-28/h5-6,9-19,25H,2-4,7-8,20-21H2,1H3/b17-12+
InChiKey KHSMMANSTJCCLG-SFQUDFHCSA-N
Formula C31H31NO5 Molecular Weight 497.58
Cross Link CHEMBL191578
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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