CFam Chemical Families Database
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You are searching for "CFAMM00243670" 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 CFAMM00243670
Family CFFID1577 Alpha-1A adrenergic receptor Ligand Upidosin Family
Superfamily CFSID1229 Alpha-1A adrenergic receptor Ligand Upidosin Superfamily
Class CFCID327 Class 1677
External ID CHEMBL2218107 External Source CHEMBL
PubChem CID 25270121 Functional Category Bioactive
Molecule Name AGN-PC-050ZMO
IUPAC Name 4-[2-chloro-3-(trifluoromethyl)benzoyl]-1-(4-fluoro-2-propan-2-yloxyphenyl)piperazin-2-one
Synonyms SureCN3652155;4-[2-chloro-3-(trifluoromethyl)benzoyl]-1-(4-fluoro-2-propan-2-yloxyphenyl)piperazin-2-one
InChi InChI=1S/C21H19ClF4N2O3/c1-12(2)31-17-10-13(23)6-7-16(17)28-9-8-27(11-18(28)29)20(30)14-4-3-5-15(19(14)22)21(24,25)26/h3-7,10,12H,8-9,11H2,1-2H3
InChiKey RXNKHFMVFKNIIL-UHFFFAOYSA-N
Formula C21H19ClF4N2O3 Molecular Weight 458.83
Cross Link CHEMBL2218107
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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