CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00421816" 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 CFAMM00421816
Family CFFBM13325 5-hydroxytryptamine receptor 1A and 5-hydroxytryptamine receptor 7 ligand AGN-PC-068CEC family
Superfamily CFSBM957 5-hydroxytryptamine receptor 1A and Substance-P receptor Binder Superfamily
Class CFCAD67 Class 67
External ID CHEMBL392051 External Source CHEMBL
PubChem CID 42618271 Functional Category Bioactive
Molecule Name AGN-PC-068CED
IUPAC Name 2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]cyclohexyl]-4,5,6,7-tetrahydroisoindole-1,3-dione
Synonyms 1-(m-trifluorophenyl)piperazine, 10;2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]cyclohexyl]-4,5,6,7-tetrahydroisoindole-1,3-dione
InChi InChI=1S/C25H30F3N3O2/c26-25(27,28)17-4-3-5-20(16-17)30-14-12-29(13-15-30)18-8-10-19(11-9-18)31-23(32)21-6-1-2-7-22(21)24(31)33/h3-5,16,18-19H,1-2,6-15H2
InChiKey RERVVDVRYYKMKB-UHFFFAOYSA-N
Formula C25H30F3N3O2 Molecular Weight 461.52
Cross Link CHEMBL392051
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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