CFam Chemical Families Database
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You are searching for "CFAMM00113973" in compound.

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CFAM Mol ID CFAMM00113973
Family CFFAD946 Diacylglycerol O-acyltransferase 2 and Hydroxycarboxylic acid receptor 2 Ligand Vitamin B3 Family
Superfamily CFSAD796 Diacylglycerol O-acyltransferase 2 and Hydroxycarboxylic acid receptor 2 Ligand Vitamin B3 Superfamily
Class CFCAD710 Class 710
External ID CHEMBL209744 External Source CHEMBL
PubChem CID 7191 Functional Category Bioactive
Molecule Name Benzyl nicotinate
IUPAC Name benzyl pyridine-3-carboxylate
Synonyms Nicotinic acid benzyl ester;94-44-0;Benzyl pyridine-3-carboxylate;Pycaril;Pykaryl;Rubriment;Benzylis nicotinas;3-Pyridinecarboxylic acid, phenylmethyl ester;Niacin benzyl ester;Nicotinsaeurebenzylester
InChi InChI=1S/C13H11NO2/c15-13(12-7-4-8-14-9-12)16-10-11-5-2-1-3-6-11/h1-9H,10H2
InChiKey KVYGGMBOZFWZBQ-UHFFFAOYSA-N
Formula C13H11NO2 Molecular Weight 213.23
Cross Link CHEMBL209744
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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