CFam Chemical Families Database
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You are searching for "CFAMM00294584" in compound.

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CFAM Mol ID CFAMM00294584
Family CFFID3612 Aldose reductase Inhibitor (4-methyl-2-oxo-2h-quinolin-1-yl)-acetic Acid Family
Superfamily CFSID839 Aldose reductase and Tyrosine-protein phosphatase non-receptor type 1 Binder Superfamily
Class CFCID588 Class 1938
External ID CHEMBL1788153 External Source CHEMBL
PubChem CID 54586679 Functional Category Bioactive
Molecule Name 2-(4-butyl-N-(2-methyl-3-sulfanylpropanoyl)anilino)acetic acid;N-cyclohexylcyclohexanamine
IUPAC Name 2-(4-butyl-N-(2-methyl-3-sulfanylpropanoyl)anilino)acetic acid;N-cyclohexylcyclohexanamine
Synonyms AGN-PC-0A9UAB;2-(4-butyl-N-(2-methyl-3-sulfanylpropanoyl)anilino)acetic acid;N-cyclohexylcyclohexanamine
InChi InChI=1S/C16H23NO3S.C12H23N/c1-3-4-5-13-6-8-14(9-7-13)17(10-15(18)19)16(20)12(2)11-21;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h6-9,12,21H,3-5,10-11H2,1-2H3,(H,18,19);11-13H,1-10H2
InChiKey PGXDNEOGFYMIMG-UHFFFAOYSA-N
Formula C28H46N2O3S Molecular Weight 490.74
Cross Link CHEMBL1788153
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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