CFam Chemical Families Database
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You are searching for "CFAMM00069514" in compound.

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CFAM Mol ID CFAMM00069514
Family CFFAD479 Epidermal growth factor receptor Ligand Gefitinib Family
Superfamily CFSAD416 Epidermal growth factor receptor Ligand Gefitinib Superfamily
Class CFCAD386 Class 386
External ID CHEMBL426148 External Source CHEMBL
PubChem CID 11974329 Functional Category Bioactive
Molecule Name AZD0530 analogue 40
IUPAC Name N-(2-chloro-5-methoxyphenyl)-6-[3-(4-methylpiperazin-1-yl)propoxy]-5-(oxan-4-yloxy)quinazolin-4-amine
Synonyms AGN-PC-00J1X0;N-(2-chloro-5-methoxyphenyl)-6-[3-(4-methylpiperazin-1-yl)propoxy]-5-(oxan-4-yloxy)quinazolin-4-amine
InChi InChI=1S/C28H36ClN5O4/c1-33-11-13-34(14-12-33)10-3-15-37-25-7-6-23-26(27(25)38-20-8-16-36-17-9-20)28(31-19-30-23)32-24-18-21(35-2)4-5-22(24)29/h4-7,18-20H,3,8-17H2,1-2H3,(H,30,31,32)
InChiKey KBCWPJVPGXBFTB-UHFFFAOYSA-N
Formula C28H36ClN5O4 Molecular Weight 542.07
Cross Link CHEMBL426148
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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