CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00069325" 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.

Search Results

CFAM Mol ID CFAMM00069325
Family CFFAD479 Epidermal growth factor receptor Ligand Gefitinib Family
Superfamily CFSAD416 Epidermal growth factor receptor Ligand Gefitinib Superfamily
Class CFCAD386 Class 386
External ID CHEMBL198862 External Source CHEMBL
PubChem CID 11606286 Functional Category Bioactive
Molecule Name AGN-PC-00CJ7I
IUPAC Name 2-[[6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]-5-(1-phenylprop-2-ynoxy)cyclohexa-2,5-diene-1,4-dione
Synonyms CHEBI:432186;2-[[6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]-5-(1-phenylprop-2-ynoxy)cyclohexa-2,5-diene-1,4-dione
InChi InChI=1S/C31H30N4O5/c1-3-27(21-10-5-4-6-11-21)40-28-19-25(36)24(17-26(28)37)34-31-22-16-29(38-2)30(18-23(22)32-20-33-31)39-15-9-14-35-12-7-8-13-35/h1,4-6,10-11,16-20,27,37H,7-9,12-15H2,2H3/b34-24-
InChiKey XXTARCZRJKIHMM-BCJTWVECSA-N
Formula C31H30N4O5 Molecular Weight 538.59
Cross Link CHEMBL198862
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
 

 

68772 visits since 2014 .........

 



Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


All rights reserved.

   
 
 
Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links

 

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543

hdnkeywordtype:MiniFieldStorage('hdnkeywordtype', 'compound'),None, hdnkeywordtype, compound|txtsearch:MiniFieldStorage('txtsearch', 'CFAMM00069325'),None, txtsearch, CFAMM00069325|