CFam Chemical Families Database
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You are searching for "CFAMM00404134" in compound.

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CFAM Mol ID CFAMM00404134
Family CFFBM10747 Xanthine dehydrogenase/oxidase inhibitor 4-[[4-(2-aminopyrimidin-4-yl)-2-cyanophenoxy]methyl]cyclohexane-1-carboxylic acid family
Superfamily CFSCD599 SB1518 Superfamily
Class CFCCD18 Class 831
External ID CHEMBL34378 External Source CHEMBL
PubChem CID 5271421 Functional Category Bioactive
Molecule Name AC1NRRAT
IUPAC Name 2-[2-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxyphenyl]ethynyl]benzoic acid
Synonyms CHEBI:150837;2-[2-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxyphenyl]ethynyl]benzoic acid;Benzoic acid, 2-[[3-[(2,4-diamino-5-pyrimidinyl)methyl]-4-methoxyphenyl]ethynyl]-
InChi InChI=1S/C21H18N4O3/c1-28-18-9-7-13(6-8-14-4-2-3-5-17(14)20(26)27)10-15(18)11-16-12-24-21(23)25-19(16)22/h2-5,7,9-10,12H,11H2,1H3,(H,26,27)(H4,22,23,24,25)
InChiKey KOQCZRWUQXZQNK-UHFFFAOYSA-N
Formula C21H18N4O3 Molecular Weight 374.39
Cross Link CHEMBL34378
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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