CFam Chemical Families Database
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You are searching for "CFAMM00069431" 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 CFAMM00069431
Family CFFAD479 Epidermal growth factor receptor Ligand Gefitinib Family
Superfamily CFSAD416 Epidermal growth factor receptor Ligand Gefitinib Superfamily
Class CFCAD386 Class 386
External ID CHEMBL56505 External Source CHEMBL
PubChem CID 44300251 Functional Category Bioactive
Molecule Name AGN-PC-074AAK
IUPAC Name 2-[2-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxyethyl-(2-hydroxyethyl)amino]ethanol
Synonyms SureCN12856412;CHEBI:188868;2-[2-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxyethyl-(2-hydroxyethyl)amino]ethanol
InChi InChI=1S/C21H24ClFN4O4/c1-30-19-12-18-15(11-20(19)31-9-6-27(4-7-28)5-8-29)21(25-13-24-18)26-14-2-3-17(23)16(22)10-14/h2-3,10-13,28-29H,4-9H2,1H3,(H,24,25,26)
InChiKey OBECJVAODZZPOU-UHFFFAOYSA-N
Formula C21H24ClFN4O4 Molecular Weight 450.89
Cross Link CHEMBL56505
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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