CFam Chemical Families Database
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You are searching for "CFAMM00440182" in compound.

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CFAM Mol ID CFAMM00440182
Family CFFBM17020 Pol polyprotein inhibitor Tertiary Amide deriv. 56 family
Superfamily CFSBM6665 Pol polyprotein Binder Superfamily 45
Class CFCBM2081 Class 5131
External ID CHEMBL430663 External Source CHEMBL
PubChem CID 461075 Functional Category Bioactive
Molecule Name Tertiary Amide deriv. 56
IUPAC Name 2-[4-[2-[(1-ethylcyclopentyl)-(2-hydroxyethyl)carbamoyl]phenyl]-2-hydroxybutyl]-N-(2-hydroxyethyl)-N-[2-(4-hydroxyphenyl)propan-2-yl]-5-methylbenzamide
Synonyms AC1LA3K3;2-[4-[2-[(1-ethylcyclopentyl)-(2-hydroxyethyl)carbamoyl]phenyl]-2-hydroxybutyl]-N-(2-hydroxyethyl)-N-[2-(4-hydroxyphenyl)propan-2-yl]-5-methylbenzamide;N-(1-Ethylcyclopentyl)-N-(2-hydroxyethyl)-2-[3-hydroxy-4-[2-[[2-hydroxyethyl)[1-(4-hydroxyphenyl)-1-methylethyl]carbamoyl]-4-methylphenyl]butyl]benzamide
InChi InChI=1S/C39H52N2O6/c1-5-39(20-8-9-21-39)41(23-25-43)36(46)34-11-7-6-10-29(34)14-17-33(45)27-30-13-12-28(2)26-35(30)37(47)40(22-24-42)38(3,4)31-15-18-32(44)19-16-31/h6-7,10-13,15-16,18-19,26,33,42-45H,5,8-9,14,17,20-25,27H2,1-4H3
InChiKey UNWFMMQOIDKTHK-UHFFFAOYSA-N
Formula C39H52N2O6 Molecular Weight 644.84
Cross Link CHEMBL430663
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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