CFam Chemical Families Database
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You are searching for "CFAMM00304674" 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 CFAMM00304674
Family CFFID4229 Cytochrome P450 2D6 and Cytochrome P450 3A4 Inhibitor 2-(2-(4-tert-butylphenylthio)ethyl)-1h-imidazole Family
Superfamily CFSAD183 Alpha-2 adrenergic receptor Ligand Dexmedetomidine Superfamily
Class CFCAD177 Class 177
External ID CHEMBL1243305 External Source CHEMBL
PubChem CID 46929447 Functional Category Bioactive
Molecule Name AGN-PC-0807M9
IUPAC Name 4-[1-(1H-imidazol-5-yl)-2-[4-(trifluoromethyl)phenyl]sulfanylethyl]piperidine
Synonyms 4-[1-(1H-imidazol-5-yl)-2-[4-(trifluoromethyl)phenyl]sulfanylethyl]piperidine
InChi InChI=1S/C17H20F3N3S/c18-17(19,20)13-1-3-14(4-2-13)24-10-15(16-9-22-11-23-16)12-5-7-21-8-6-12/h1-4,9,11-12,15,21H,5-8,10H2,(H,22,23)
InChiKey HGLGWLWXYRAXPK-UHFFFAOYSA-N
Formula C17H20F3N3S Molecular Weight 355.42
Cross Link CHEMBL1243305
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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