CFam Chemical Families Database
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You are searching for "CFAMM00397156" in compound.

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CFAM Mol ID CFAMM00397156
Family CFFBM9668 Substance-P receptor ligand (3S,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluoro-2-methylphenyl)-N-methyl-1-oxamoylpiperidine-4-carboxamide family
Superfamily CFSCD302 Substance-P receptor Ligand Orvepitant Superfamily
Class CFCCD223 Class 1036
External ID CHEMBL215333 External Source CHEMBL
PubChem CID 44416125 Functional Category Bioactive
Molecule Name AGN-PC-0764ZG
IUPAC Name methyl N-[1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-1-oxo-4-spiro[indene-1,4'-piperidine]-1'-ylbutan-2-yl]carbamate
Synonyms CHEBI:458166;methyl N-[1-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-1-oxo-4-spiro[indene-1,4'-piperidine]-1'-ylbutan-2-yl]carbamate
InChi InChI=1S/C28H29F6N3O3/c1-40-25(39)36-23(7-11-37-12-9-26(10-13-37)8-6-19-4-2-3-5-22(19)26)24(38)35-17-18-14-20(27(29,30)31)16-21(15-18)28(32,33)34/h2-6,8,14-16,23H,7,9-13,17H2,1H3,(H,35,38)(H,36,39)
InChiKey MAVBWNPZMIJLIT-UHFFFAOYSA-N
Formula C28H29F6N3O3 Molecular Weight 569.54
Cross Link CHEMBL215333
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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