CFam Chemical Families Database
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You are searching for "CFAMM00398455" in compound.

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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 CFAMM00398455
Family CFFBM9875 Proto-oncogene tyrosine-protein kinase Src and Vascular endothelial growth factor receptor 2 ligand AGN-PC-075Y9T family
Superfamily CFSCD216 Abelson tyrosine-protein kinase 2 and Proto-oncogene tyrosine-protein kinase Src Inhibitor AZD0530 Superfamily
Class CFCAD386 Class 386
External ID ZINC13125505 External Source ZINC
PubChem CID 51517449 Functional Category Natural Product
Molecule Name AGN-PC-095F86
IUPAC Name 2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]-5-(2-methylprop-2-enoxy)phenolate
Synonyms ZINC13125505;2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]-5-(2-methylprop-2-enoxy)phenolate
InChi InChI=1S/C20H18ClN3O2/c1-12(2)11-26-15-7-8-16(18(25)9-15)19-17(10-23-20(22)24-19)13-3-5-14(21)6-4-13/h3-10,25H,1,11H2,2H3,(H2,22,23,24)/p-1
InChiKey RGLDSLCSFHQZTE-UHFFFAOYSA-M
Formula C20H17ClN3O2- Molecular Weight 366.82
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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