CFam Chemical Families Database
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You are searching for "CFAMM00430932" 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 CFAMM00430932
Family CFFBM14896 Alpha-1A adrenergic receptor and Alpha-1B adrenergic receptor ligand AGN-PC-073NOD family
Superfamily CFSID1008 3-oxo-5-alpha-steroid 4-dehydrogenase 1 Inhibitor 5-(4-chloro-phenyl)-1-methyl-piperidin-2-one Superfamily
Class CFCID692 Class 2042
External ID CHEMBL42763 External Source CHEMBL
PubChem CID 44289026 Functional Category Bioactive
Molecule Name AGN-PC-073NTG
IUPAC Name N-[3-[4-cyano-4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2,2-bis(4-methylphenyl)acetamide
Synonyms CHEBI:163235;N-[3-[4-cyano-4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2,2-bis(4-methylphenyl)acetamide
InChi InChI=1S/C32H34F3N3O/c1-23-8-12-25(13-9-23)29(26-14-10-24(2)11-15-26)30(39)37-18-5-19-38-20-16-31(22-36,17-21-38)27-6-3-4-7-28(27)32(33,34)35/h3-4,6-15,29H,5,16-21H2,1-2H3,(H,37,39)
InChiKey ORUJCINTLKUHJM-UHFFFAOYSA-N
Formula C32H34F3N3O Molecular Weight 533.63
Cross Link CHEMBL42763
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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