CFam Chemical Families Database
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You are searching for "CFAMM00230786" in compound.

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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 CFAMM00230786
Family CFFID1182 5-hydroxytryptamine receptor 1A and Alpha-1A adrenergic receptor Ligand SNAP-8719 Family
Superfamily CFSID957 5-hydroxytryptamine receptor 1A and Alpha-1A adrenergic receptor Ligand SNAP-8719 Superfamily
Class CFCID662 Class 2012
External ID CHEMBL239897 External Source CHEMBL
PubChem CID 42618270 Functional Category Bioactive
Molecule Name AGN-PC-068CEC
IUPAC Name 2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-4,5,6,7-tetrahydroisoindole-1,3-dione
Synonyms 1-(m-trifluorophenyl)piperazine, 9;2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-4,5,6,7-tetrahydroisoindole-1,3-dione
InChi InChI=1S/C23H28F3N3O2/c24-23(25,26)17-6-5-7-18(16-17)28-14-12-27(13-15-28)10-3-4-11-29-21(30)19-8-1-2-9-20(19)22(29)31/h5-7,16H,1-4,8-15H2
InChiKey HTUTXORRNIHWIV-UHFFFAOYSA-N
Formula C23H28F3N3O2 Molecular Weight 435.48
Cross Link CHEMBL239897
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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