CFam Chemical Families Database
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You are searching for "CFAMM00324053" in compound.

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CFAM Mol ID CFAMM00324053
Family CFFBM1479 C-C chemokine receptor type 5 ligand (4-methoxyphenyl)methyl N-[1-[[(3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl]methyl]piperidin-4-yl]-N-prop-2-enylcarbamate family
Superfamily CFSBM848 C-C chemokine receptor type 5 Binder Superfamily 6
Class CFCBM327 Class 3377
External ID CHEMBL1172039 External Source CHEMBL
PubChem CID 49798080 Functional Category Bioactive
Molecule Name [4-(trifluoromethoxy)phenyl]methyl N-[1-[[(3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl]methyl]piperidin-4-yl]-N-prop-2-enylcarbamate
IUPAC Name [4-(trifluoromethoxy)phenyl]methyl N-[1-[[(3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl]methyl]piperidin-4-yl]-N-prop-2-enylcarbamate
Synonyms CHEBI:748079;[4-(trifluoromethoxy)phenyl]methyl N-allyl-N-[1-[[(3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenyl-pyrrolidin-3-yl]methyl]-4-piperidyl]carbamate;4-(Trifluoromethoxy)benzyl (1-{[(3S,4R)-1-(cyclopentylcarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl]methyl}piperidin-4-yl)prop-2-en-1-ylcarbamate
InChi InChI=1S/C34H42F3N3O5/c1-2-18-40(32(42)44-23-25-12-14-30(15-13-25)45-34(35,36)37)29-16-19-38(20-17-29)21-28-22-39(31(41)26-8-6-7-9-26)24-33(28,43)27-10-4-3-5-11-27/h2-5,10-15,26,28-29,43H,1,6-9,16-24H2/t28-,33-/m0/s1
InChiKey XHXHVPDACROHEJ-UVMMSNCQSA-N
Formula C34H42F3N3O5 Molecular Weight 629.71
Cross Link CHEMBL1172039
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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