CFam Chemical Families Database
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You are searching for "CFAMM00330946" in compound.

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CFAM Mol ID CFAMM00330946
Family CFFBM2162 Pol polyprotein inhibitor AC1LAPRV family
Superfamily CFSBM867 Pol polyprotein and Collagenase 3 Binder Superfamily
Class CFCBM337 Class 3387
External ID CHEMBL42715 External Source CHEMBL
PubChem CID 44289870 Functional Category Bioactive
Molecule Name 4-amino-N-[(2R)-2-[(3S,6S)-5,8-dioxo-6-propan-2-yl-14-oxa-4,7-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-3-yl]-2-hydroxyethyl]-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
IUPAC Name 4-amino-N-[(2R)-2-[(3S,6S)-5,8-dioxo-6-propan-2-yl-14-oxa-4,7-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-3-yl]-2-hydroxyethyl]-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
Synonyms CHEBI:165118
InChi InChI=1S/C36H48N4O7S/c1-25(2)35-36(43)38-32(23-27-10-16-30(17-11-27)47-22-6-4-5-7-34(42)39-35)33(41)24-40(21-20-26-8-14-29(46-3)15-9-26)48(44,45)31-18-12-28(37)13-19-31/h8-19,25,32-33,35,41H,4-7,20-24,37H2,1-3H3,(H,38,43)(H,39,42)/t32-,33+,35-/m0/s1
InChiKey SVRZMLZCBKLXGX-UJNSZXMOSA-N
Formula C36H48N4O7S Molecular Weight 680.85
Cross Link CHEMBL42715
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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