CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00069143" 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 CFAMM00069143
Family CFFAD479 Epidermal growth factor receptor Ligand Gefitinib Family
Superfamily CFSAD416 Epidermal growth factor receptor Ligand Gefitinib Superfamily
Class CFCAD386 Class 386
External ID CHEMBL2435961 External Source CHEMBL
PubChem CID 73347899 Functional Category Bioactive
Molecule Name N-[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]-4-(4-fluorophenyl)pyrimidine-2-carboxamide
IUPAC Name N-[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]-4-(4-fluorophenyl)pyrimidine-2-carboxamide
Synonyms
InChi InChI=1S/C35H34F2N6O4/c1-42-15-17-43(18-16-42)14-3-19-46-33-22-29-26(21-32(33)45-2)30(11-13-38-29)47-31-9-8-25(20-27(31)37)40-35(44)34-39-12-10-28(41-34)23-4-6-24(36)7-5-23/h4-13,20-22H,3,14-19H2,1-2H3,(H,40,44)
InChiKey YXNVRITWXLFAIM-UHFFFAOYSA-N
Formula C35H34F2N6O4 Molecular Weight 640.68
Cross Link CHEMBL2435961
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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