CFam Chemical Families Database
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You are searching for "CFAMM00069666" in compound.

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CFAM Mol ID CFAMM00069666
Family CFFAD479 Epidermal growth factor receptor Ligand Gefitinib Family
Superfamily CFSAD416 Epidermal growth factor receptor Ligand Gefitinib Superfamily
Class CFCAD386 Class 386
External ID CHEMBL1934331 External Source CHEMBL
PubChem CID 57390859 Functional Category Bioactive
Molecule Name 1-[2-fluoro-4-[[7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenyl]-3-(3-fluorophenyl)urea
IUPAC Name 1-[2-fluoro-4-[[7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenyl]-3-(3-fluorophenyl)urea
Synonyms AGN-PC-0BTGZ7;1-[2-fluoro-4-[[7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenyl]-3-(3-fluorophenyl)urea
InChi InChI=1S/C28H28F2N6O2/c1-36-11-9-18(10-12-36)16-38-22-6-7-23-26(15-22)31-17-32-27(23)33-21-5-8-25(24(30)14-21)35-28(37)34-20-4-2-3-19(29)13-20/h2-8,13-15,17-18H,9-12,16H2,1H3,(H,31,32,33)(H2,34,35,37)
InChiKey JYIOHHMCRSLEOY-UHFFFAOYSA-N
Formula C28H28F2N6O2 Molecular Weight 518.56
Cross Link CHEMBL1934331
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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