CFam Chemical Families Database
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You are searching for "CFAMM00391360" in compound.

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CFAM Mol ID CFAMM00391360
Family CFFBM8884 Pol polyprotein inhibitor AC1LADII family
Superfamily CFSBM4606 Pol polyprotein Binder Superfamily 34
Class CFCBM26 Class 3076
External ID CHEMBL362095 External Source CHEMBL
PubChem CID 44395217 Functional Category Bioactive
Molecule Name (2R,4S)-5-[(3S,5R)-3-[[3-(2-amino-2-oxoethyl)phenyl]methyl]-5-benzyl-2-oxopyrrolidin-1-yl]-2-benzyl-4-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide
IUPAC Name (2R,4S)-5-[(3S,5R)-3-[[3-(2-amino-2-oxoethyl)phenyl]methyl]-5-benzyl-2-oxopyrrolidin-1-yl]-2-benzyl-4-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide
Synonyms
InChi InChI=1S/C41H45N3O5/c42-38(47)22-30-15-9-14-29(18-30)20-33-23-34(21-28-12-5-2-6-13-28)44(41(33)49)26-35(45)24-32(19-27-10-3-1-4-11-27)40(48)43-39-36-17-8-7-16-31(36)25-37(39)46/h1-18,32-35,37,39,45-46H,19-26H2,(H2,42,47)(H,43,48)/t32-,33+,34+,35+,37-,39?/m1/s1
InChiKey FYIMDESKIXVZCQ-CRUWUQEGSA-N
Formula C41H45N3O5 Molecular Weight 659.81
Cross Link CHEMBL362095
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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