CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00072538" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00072538
Family CFFAD529 Prostaglandin G/H synthase 1 Inhibitor Mesalazine Family
Superfamily CFSAD459 Prostaglandin G/H synthase 1 Inhibitor Mesalazine Superfamily
Class CFCAD422 Class 422
External ID 54534588 External Source PubChem
PubChem CID 54534588 Functional Category Patent Compound
Molecule Name AGN-PC-0A7KMU
IUPAC Name acetonitrile;3-amino-4,5-dimethylbenzoic acid
Synonyms acetonitrile;3-amino-4,5-dimethylbenzoic acid
InChi InChI=1S/C9H11NO2.C2H3N/c1-5-3-7(9(11)12)4-8(10)6(5)2;1-2-3/h3-4H,10H2,1-2H3,(H,11,12);1H3
InChiKey YYWXMENZVOLFNQ-UHFFFAOYSA-N
Formula C11H14N2O2 Molecular Weight 206.24
Cross Link
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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