CFam Chemical Families Database
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You are searching for "CFAMM00397144" in compound.

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CFAM Mol ID CFAMM00397144
Family CFFBM9667 Substance-P receptor ligand (3R,4R)-1-(1-acetylpiperidine-4-carbonyl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-phenylpiperidine-4-carboxamide family
Superfamily CFSCD302 Substance-P receptor Ligand Orvepitant Superfamily
Class CFCCD223 Class 1036
External ID 57011199 External Source PubChem
PubChem CID 57011199 Functional Category Patent Compound
Molecule Name AGN-PC-0BKN2W
IUPAC Name 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(3,4-difluorophenyl)-5-[2-(4-phenyl-1-azoniabicyclo[2.2.2]octan-1-yl)ethyl]piperidin-2-one
Synonyms 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(3,4-difluorophenyl)-5-[2-(4-phenyl-1-azoniabicyclo[2.2.2]octan-1-yl)ethyl]piperidin-2-one
InChi InChI=1S/C35H35F8N2O/c36-29-7-6-26(21-30(29)37)33(13-17-45-14-10-32(11-15-45,12-16-45)25-4-2-1-3-5-25)9-8-31(46)44(23-33)22-24-18-27(34(38,39)40)20-28(19-24)35(41,42)43/h1-7,18-21H,8-17,22-23H2/q+1
InChiKey RROPWYHCTVNDOB-UHFFFAOYSA-N
Formula C35H35F8N2O+ Molecular Weight 651.65
Cross Link
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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