CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00400577" 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 CFAMM00400577
Family CFFBM10233 Transient receptor potential cation channel subfamily V member 1 ligand 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-[3-(trifluoromethyl)pyridin-2-yl]-N-[6-(trifluoromethyl)pyridin-3-yl]quinazolin-4-amine family
Superfamily CFSCD128 Cyclin-dependent kinase 2 Inhibitor Seliciclib Superfamily
Class CFCCD107 Class 920
External ID CHEMBL456128 External Source CHEMBL
PubChem CID 44587934 Functional Category Bioactive
Molecule Name 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-[3-(trifluoromethyl)pyridin-2-yl]-N-[6-(trifluoromethyl)pyridin-3-yl]quinazolin-4-amine
IUPAC Name 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-[3-(trifluoromethyl)pyridin-2-yl]-N-[6-(trifluoromethyl)pyridin-3-yl]quinazolin-4-amine
Synonyms CHEBI:612391
InChi InChI=1S/C27H24F6N6O/c1-15-12-39(13-16(2)40-15)14-23-37-21-10-17(24-20(26(28,29)30)4-3-9-34-24)5-7-19(21)25(38-23)36-18-6-8-22(35-11-18)27(31,32)33/h3-11,15-16H,12-14H2,1-2H3,(H,36,37,38)/t15-,16+
InChiKey FARAVHZSBYZDHO-IYBDPMFKSA-N
Formula C27H24F6N6O Molecular Weight 562.51
Cross Link CHEMBL456128
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
 

 

27396 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', 'CFAMM00400577'),None, txtsearch, CFAMM00400577|