CFam Chemical Families Database
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You are searching for "CFAMM00384178" in compound.

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CFAM Mol ID CFAMM00384178
Family CFFBM7927 Cholecystokinin receptor type A ligand AGN-PC-0A9ULH family
Superfamily CFSBM1085 Histamine H3 receptor and Cytochrome P450 3A4 Binder Superfamily
Class CFCAD666 Class 666
External ID CHEMBL1773896 External Source CHEMBL
PubChem CID 54583260 Functional Category Bioactive
Molecule Name AGN-PC-0A9S1E
IUPAC Name [4-(4-fluorophenyl)-5-(4-methoxyphenyl)pyrimidin-2-yl]-(4-quinolin-3-ylpiperazin-1-yl)methanone
Synonyms CHEBI:1244938;[4-(4-fluorophenyl)-5-(4-methoxyphenyl)pyrimidin-2-yl]-(4-quinolin-3-ylpiperazin-1-yl)methanone
InChi InChI=1S/C31H26FN5O2/c1-39-26-12-8-21(9-13-26)27-20-34-30(35-29(27)22-6-10-24(32)11-7-22)31(38)37-16-14-36(15-17-37)25-18-23-4-2-3-5-28(23)33-19-25/h2-13,18-20H,14-17H2,1H3
InChiKey KELQGFLXZIMADF-UHFFFAOYSA-N
Formula C31H26FN5O2 Molecular Weight 519.57
Cross Link CHEMBL1773896
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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