CFam Chemical Families Database
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You are searching for "CFAMM00429743" in compound.

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CFAM Mol ID CFAMM00429743
Family CFFBM14693 Substance-K receptor and Neuromedin-K receptor ligand 1-benzyl-5-(3,4-dichlorophenyl)-5-[3-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)propyl]piperidin-2-one family
Superfamily CFSBM1127 Sodium-dependent serotonin transporter and Prothrombin Binder Superfamily
Class CFCBM432 Class 3482
External ID CHEMBL54602 External Source CHEMBL
PubChem CID 44297434 Functional Category Bioactive
Molecule Name AGN-PC-073SR3
IUPAC Name 2-(benzylamino)-5-(3,4-dichlorophenyl)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)pentan-1-one
Synonyms CHEBI:181962;2-(benzylamino)-5-(3,4-dichlorophenyl)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)pentan-1-one
InChi InChI=1S/C31H35Cl2N3O3S/c1-40(38,39)36-22-31(25-11-5-6-13-29(25)36)16-18-35(19-17-31)30(37)28(34-21-24-8-3-2-4-9-24)12-7-10-23-14-15-26(32)27(33)20-23/h2-6,8-9,11,13-15,20,28,34H,7,10,12,16-19,21-22H2,1H3
InChiKey GPOHXSRIYHKDDY-UHFFFAOYSA-N
Formula C31H35Cl2N3O3S Molecular Weight 600.60
Cross Link CHEMBL54602
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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