CFam Chemical Families Database
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You are searching for "CFAMM00134247" in compound.

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CFAM Mol ID CFAMM00134247
Family CFFCD108 Aurora kinase A Inhibitor MLN8054 Family
Superfamily CFSCD98 Aurora kinase A Inhibitor MLN8054 Superfamily
Class CFCCD85 Class 898
External ID CHEMBL271045 External Source CHEMBL
PubChem CID 44453828 Functional Category Bioactive
Molecule Name 4-[2-(3-chloroanilino)pyrimidin-4-yl]benzoic acid
IUPAC Name 4-[2-(3-chloroanilino)pyrimidin-4-yl]benzoic acid
Synonyms AGN-PC-076EQQ;4-[2-(3-chloroanilino)pyrimidin-4-yl]benzoic acid
InChi InChI=1S/C17H12ClN3O2/c18-13-2-1-3-14(10-13)20-17-19-9-8-15(21-17)11-4-6-12(7-5-11)16(22)23/h1-10H,(H,22,23)(H,19,20,21)
InChiKey ULVLDPPOILTDEH-UHFFFAOYSA-N
Formula C17H12ClN3O2 Molecular Weight 325.75
Cross Link CHEMBL271045
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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