CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00415621" 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 CFAMM00415621
Family CFFBM12414 Receptor tyrosine-protein kinase erbB-2 ligand SureCN4463897 family
Superfamily CFSCD200 Receptor tyrosine-protein kinase erbB-2 Inhibitor CP-724714 Superfamily
Class CFCCD37 Class 850
External ID CHEMBL231102 External Source CHEMBL
PubChem CID 11365185 Functional Category Bioactive
Molecule Name AGN-PC-007N1O
IUPAC Name N-(2,6-difluorophenyl)-4-[2-methyl-4-[(6-morpholin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]phenoxy]piperidine-1-carboxamide
Synonyms CHEBI:484924;N-(2,6-difluorophenyl)-4-[2-methyl-4-[(6-morpholin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]phenoxy]piperidine-1-carboxamide
InChi InChI=1S/C30H31F2N7O3/c1-19-15-20(36-29-22-16-27(38-11-13-41-14-12-38)33-17-25(22)34-18-35-29)5-6-26(19)42-21-7-9-39(10-8-21)30(40)37-28-23(31)3-2-4-24(28)32/h2-6,15-18,21H,7-14H2,1H3,(H,37,40)(H,34,35,36)
InChiKey XLFDKKYOEFVYCT-UHFFFAOYSA-N
Formula C30H31F2N7O3 Molecular Weight 575.61
Cross Link CHEMBL231102
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
 

 

54857 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', 'CFAMM00415621'),None, txtsearch, CFAMM00415621|