CFam Chemical Families Database
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You are searching for "CFAMM00430934" 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 CFAMM00430934
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 CHEMBL60452 External Source CHEMBL
PubChem CID 44301572 Functional Category Bioactive
Molecule Name AGN-PC-074B4R
IUPAC Name 1-[3-[3,3-bis(4-methylphenyl)-2-oxo-5-sulfanylidenepyrrolidin-1-yl]propyl]-4-(2-chlorophenyl)piperidine-4-carbonitrile
Synonyms CHEBI:191855;1-[3-[3,3-bis(4-methylphenyl)-2-oxo-5-sulfanylidenepyrrolidin-1-yl]propyl]-4-(2-chlorophenyl)piperidine-4-carbonitrile
InChi InChI=1S/C33H34ClN3OS/c1-24-8-12-26(13-9-24)33(27-14-10-25(2)11-15-27)22-30(39)37(31(33)38)19-5-18-36-20-16-32(23-35,17-21-36)28-6-3-4-7-29(28)34/h3-4,6-15H,5,16-22H2,1-2H3
InChiKey IEMRAOUETYELPW-UHFFFAOYSA-N
Formula C33H34ClN3OS Molecular Weight 556.16
Cross Link CHEMBL60452
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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