CFam Chemical Families Database
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You are searching for "CFAMM00397139" in compound.

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CFAM Mol ID CFAMM00397139
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 CHEMBL1951627 External Source CHEMBL
PubChem CID 57391807 Functional Category Bioactive
Molecule Name (3S,4S)-1-(1-acetylpiperidine-4-carbonyl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(2-ethylphenyl)-N-methylpiperidine-4-carboxamide
IUPAC Name (3S,4S)-1-(1-acetylpiperidine-4-carbonyl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(2-ethylphenyl)-N-methylpiperidine-4-carboxamide
Synonyms
InChi InChI=1S/C32H37F6N3O3/c1-4-22-7-5-6-8-26(22)28-19-41(29(43)23-9-12-40(13-10-23)20(2)42)14-11-27(28)30(44)39(3)18-21-15-24(31(33,34)35)17-25(16-21)32(36,37)38/h5-8,15-17,23,27-28H,4,9-14,18-19H2,1-3H3/t27-,28+/m0/s1
InChiKey PRKDQTJNJVWZST-WUFINQPMSA-N
Formula C32H37F6N3O3 Molecular Weight 625.64
Cross Link CHEMBL1951627
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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