CFam Chemical Families Database
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You are searching for "CFAMM00441334" in compound.

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CFAM Mol ID CFAMM00441334
Family CFFBM17246 Substance-P receptor ligand N-[(3S,5S)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-oxo-5-phenylpyrrolidin-3-yl]propanamide family
Superfamily CFSBM1351 Substance-P receptor and Lethal factor Binder Superfamily
Class CFCBM513 Class 3563
External ID CHEMBL517121 External Source CHEMBL
PubChem CID 44560834 Functional Category Bioactive
Molecule Name (5S)-3-amino-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-phenylpyrrolidin-2-one
IUPAC Name (5S)-3-amino-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-phenylpyrrolidin-2-one
Synonyms CHEBI:548459
InChi InChI=1S/C21H20F6N2O2/c1-12(13-7-15(20(22,23)24)9-16(8-13)21(25,26)27)31-11-19(10-17(28)18(30)29-19)14-5-3-2-4-6-14/h2-9,12,17H,10-11,28H2,1H3,(H,29,30)/t12-,17?,19-/m1/s1
InChiKey JKJDVBSGBXQCLI-AZOXIEDXSA-N
Formula C21H20F6N2O2 Molecular Weight 446.39
Cross Link CHEMBL517121
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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