CFam Chemical Families Database
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You are searching for "CFAMM00398915" 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 CFAMM00398915
Family CFFBM9976 Aurora kinase B and Vascular endothelial growth factor receptor 3 ligand CHEMBL1988163 family
Superfamily CFSAD798 Mast/stem cell growth factor receptor Kit and Vascular endothelial growth factor receptor 2 Ligand Pazopanib Hcl Superfamily
Class CFCAD712 Class 712
External ID CHEMBL385945 External Source CHEMBL
PubChem CID 23646632 Functional Category Bioactive
Molecule Name pyrrolopyrimidine 20
IUPAC Name N-[4-(4-methylpiperazin-1-yl)phenyl]-7-(3-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
Synonyms AGN-PC-046QMZ;N-[4-(4-methylpiperazin-1-yl)phenyl]-7-(3-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
InChi InChI=1S/C24H26N6O2S/c1-28-12-14-29(15-13-28)20-8-6-19(7-9-20)26-24-25-17-18-10-11-30(23(18)27-24)21-4-3-5-22(16-21)33(2,31)32/h3-11,16-17H,12-15H2,1-2H3,(H,25,26,27)
InChiKey PMKNWNBABNJCEO-UHFFFAOYSA-N
Formula C24H26N6O2S Molecular Weight 462.57
Cross Link CHEMBL385945
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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