CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00069766" in compound.

Total 1 results found.

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 CFAMM00069766
Family CFFAD479 Epidermal growth factor receptor Ligand Gefitinib Family
Superfamily CFSAD416 Epidermal growth factor receptor Ligand Gefitinib Superfamily
Class CFCAD386 Class 386
External ID DCL000086 External Source TTD
PubChem CID 156413 Functional Category Clinical Trial Drug
Molecule Name CI-1033
IUPAC Name N-[4-(3-chloro-4-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enamide;dihydrochloride
Synonyms 289499-45-2;CI-1033;Canertinib HCl;PD-183805;Canertinib dihydrochloride [USAN];PD-0183805;CI1033;AC1L4G5O;CI 1033;UNII-ICJ93X8X90
InChi InChI=1S/C24H25ClFN5O3.2ClH/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16;;/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29);2*1H
InChiKey JZZFDCXSFTVOJY-UHFFFAOYSA-N
Formula C24H27Cl3FN5O3 Molecular Weight 558.86
Cross Link CHEMBL545315
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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