CFam Chemical Families Database
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You are searching for "CFAMM00416713" in compound.

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CFAM Mol ID CFAMM00416713
Family CFFBM12537 Xanthine dehydrogenase/oxidase inhibitor 5-(2-amino-4-oxo-1H-pyrimidin-6-yl)-2-(cyclohexylmethoxy)benzonitrile family
Superfamily CFSCD599 SB1518 Superfamily
Class CFCCD18 Class 831
External ID CHEMBL2322147 External Source CHEMBL
PubChem CID 71520694 Functional Category Bioactive
Molecule Name 3-[4-(2-amino-4-oxo-1H-pyrimidin-6-yl)-2-cyanophenoxy]-2,2-dimethylpropanoic acid
IUPAC Name 3-[4-(2-amino-4-oxo-1H-pyrimidin-6-yl)-2-cyanophenoxy]-2,2-dimethylpropanoic acid
Synonyms
InChi InChI=1S/C16H16N4O4/c1-16(2,14(22)23)8-24-12-4-3-9(5-10(12)7-17)11-6-13(21)20-15(18)19-11/h3-6H,8H2,1-2H3,(H,22,23)(H3,18,19,20,21)
InChiKey KONXOCLMILPJMO-UHFFFAOYSA-N
Formula C16H16N4O4 Molecular Weight 328.32
Cross Link CHEMBL2322147
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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