CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00213729" 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.

Search Results

CFAM Mol ID CFAMM00213729
Family CFFID574 Tumor necrosis factor Inhibitor Y-39041 Family
Superfamily CFSID468 Cytochrome P450 3A4 and Tumor necrosis factor Binder Superfamily
Class CFCAD719 Class 719
External ID CHEMBL330486 External Source CHEMBL
PubChem CID 482150 Functional Category Bioactive
Molecule Name SureCN8042282
IUPAC Name N-[(2S)-2-(1,3-benzodioxol-5-yl)-4-(4-phenylpiperidin-1-yl)butyl]-N-methylbenzenesulfonamide
Synonyms AC1LA646;CHEBI:247439;[2-(2H-Benzo[3,4-d]1,3-dioxolan-5-yl)(2S)-4-(4-phenylpiperidyl)butyl]methyl(phenylsulfonyl)amine;N-[(2S)-2-(1,3-benzodioxol-5-yl)-4-(4-phenylpiperidin-1-yl)butyl]-N-methylbenzenesulfonamide
InChi InChI=1S/C29H34N2O4S/c1-30(36(32,33)27-10-6-3-7-11-27)21-26(25-12-13-28-29(20-25)35-22-34-28)16-19-31-17-14-24(15-18-31)23-8-4-2-5-9-23/h2-13,20,24,26H,14-19,21-22H2,1H3/t26-/m1/s1
InChiKey PPRARFATQIRNJH-AREMUKBSSA-N
Formula C29H34N2O4S Molecular Weight 506.66
Cross Link CHEMBL330486
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
 

 

85104 visits since 2014 .........

 



Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


All rights reserved.

   
 
 
Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links

 

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543

hdnkeywordtype:MiniFieldStorage('hdnkeywordtype', 'compound'),None, hdnkeywordtype, compound|txtsearch:MiniFieldStorage('txtsearch', 'CFAMM00213729'),None, txtsearch, CFAMM00213729|