CFam Chemical Families Database
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You are searching for "CFAMM00376758" 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 CFAMM00376758
Family CFFBM7056 Muscarinic acetylcholine receptor M2 ligand (2R)-4-cyclohexyl-1-[(1S)-1-[4-(4-methoxyphenyl)sulfonylphenyl]ethyl]-2-methylpiperazine family
Superfamily CFSID1929 D(3) dopamine receptor Ligand GR-218231 Superfamily
Class CFCID81 Class 1431
External ID CHEMBL310912 External Source CHEMBL
PubChem CID 44312451 Functional Category Bioactive
Molecule Name AGN-PC-074HLM
IUPAC Name 1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfonylphenyl]ethyl]piperazine
Synonyms CHEBI:216156;1-cyclohexyl-4-[1-[4-(4-methoxyphenyl)sulfonylphenyl]ethyl]piperazine
InChi InChI=1S/C25H34N2O3S/c1-20(26-16-18-27(19-17-26)22-6-4-3-5-7-22)21-8-12-24(13-9-21)31(28,29)25-14-10-23(30-2)11-15-25/h8-15,20,22H,3-7,16-19H2,1-2H3
InChiKey AWMYFVQONDTWPK-UHFFFAOYSA-N
Formula C25H34N2O3S Molecular Weight 442.61
Cross Link CHEMBL310912
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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