CFam Chemical Families Database
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You are searching for "CFAMM00323129" in compound.

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CFAM Mol ID CFAMM00323129
Family CFFBM1411 Pol polyprotein inhibitor Carbamic acid, ((2-hydroxy-1,4-bis(phenylmethyl)-1,4-butanediyl)bis(iminocarbonyl-2,1-phenylene))bis-, bis(2-pyridinylmethyl) ester, (1S-(1R*,2R*,4R*))- family
Superfamily CFSBM806 Pol polyprotein Binder Superfamily 12
Class CFCAD137 Class 137
External ID CHEMBL324485 External Source CHEMBL
PubChem CID 44343800 Functional Category Bioactive
Molecule Name benzyl N-[(2R)-1-[[2-[[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]amino]-2-oxoethyl]amino]-1-oxo-4-(quinoline-3-carbonylamino)butan-2-yl]carbamate
IUPAC Name benzyl N-[(2R)-1-[[2-[[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]amino]-2-oxoethyl]amino]-1-oxo-4-(quinoline-3-carbonylamino)butan-2-yl]carbamate
Synonyms CHEBI:291932
InChi InChI=1S/C30H36N8O6/c31-29(32)38-14-6-11-24(28(38)42)36-25(39)17-35-27(41)23(37-30(43)44-18-19-7-2-1-3-8-19)12-13-33-26(40)21-15-20-9-4-5-10-22(20)34-16-21/h1-5,7-10,15-16,23-24,28,42H,6,11-14,17-18H2,(H3,31,32)(H,33,40)(H,35,41)(H,36,39)(H,37,43)/t23-,24+,28?/m1/s1
InChiKey GIYGXCZBMRFGDH-TYZCMFQESA-N
Formula C30H36N8O6 Molecular Weight 604.66
Cross Link CHEMBL324485
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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