CFam Chemical Families Database
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You are searching for "CFAMM00317073" 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 CFAMM00317073
Family CFFBM910 Tyrosine-protein kinase JAK2 and Tyrosine-protein kinase JAK1 inhibitor AGN-PC-07ZD0T family
Superfamily CFSCD446 D(3) dopamine receptor Ligand SB-277011 Superfamily
Class CFCCD27 Class 840
External ID CHEMBL1256455 External Source CHEMBL
PubChem CID 49780595 Functional Category Bioactive
Molecule Name AGN-PC-087TNO
IUPAC Name 1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one
Synonyms SureCN7911803;CHEBI:805442;1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one
InChi InChI=1S/C32H23F3N4O2/c33-32(34,35)26-17-24(7-9-29(26)38-11-13-41-14-12-38)39-30(40)10-6-22-18-37-28-8-5-20(16-25(28)31(22)39)23-15-21-3-1-2-4-27(21)36-19-23/h1-10,15-19H,11-14H2
InChiKey NOBCQYOXRJUPLB-UHFFFAOYSA-N
Formula C32H23F3N4O2 Molecular Weight 552.55
Cross Link CHEMBL1256455
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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