CFam Chemical Families Database
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You are searching for "CFAMM00254067" 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 CFAMM00254067
Family CFFID1906 D(2) dopamine receptor and D(3) dopamine receptor Ligand A-706149 Family
Superfamily CFSCD151 Mitogen-activated protein kinase 12 Inhibitor VX-702 Superfamily
Class CFCCD11 Class 824
External ID CHEMBL207880 External Source CHEMBL
PubChem CID 44409720 Functional Category Bioactive
Molecule Name SureCN2002877
IUPAC Name 1-[4-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]-4-phenylpyridin-2-one
Synonyms AGN-PC-0760W6;CHEBI:443770;1-[4-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]-4-phenylpyridin-2-one
InChi InChI=1S/C28H34F3N5O/c1-27(2,3)26-32-23(28(29,30)31)20-24(33-26)35-17-15-34(16-18-35)12-7-8-13-36-14-11-22(19-25(36)37)21-9-5-4-6-10-21/h4-6,9-11,14,19-20H,7-8,12-13,15-18H2,1-3H3
InChiKey FADJIPFJANIADX-UHFFFAOYSA-N
Formula C28H34F3N5O Molecular Weight 513.60
Cross Link CHEMBL207880
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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