CFam Chemical Families Database
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You are searching for "CFAMM00433654" in compound.

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CFAM Mol ID CFAMM00433654
Family CFFBM15361 Pol polyprotein inhibitor (3S)-N-tert-butyl-2-[(2R)-2-[(3S,6S,9Z)-5,8-dioxo-6-propan-2-yl-14-oxa-4,7-diazabicyclo[13.2.2]nonadeca-1(17),9,15,18-tetraen-3-yl]-2-hydroxyethyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide family
Superfamily CFSAD343 Glucan synthesis regulatory protein Inhibitor Anidulafungin Superfamily
Class CFCAD322 Class 322
External ID CHEMBL306727 External Source CHEMBL
PubChem CID 44310443 Functional Category Bioactive
Molecule Name (3S)-N-tert-butyl-2-[(2R)-2-[(3S,6S,9Z)-5,8-dioxo-6-propan-2-yl-14-oxa-4,7-diazabicyclo[13.2.2]nonadeca-1(17),9,15,18-tetraen-3-yl]-2-hydroxyethyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
IUPAC Name (3S)-N-tert-butyl-2-[(2R)-2-[(3S,6S,9Z)-5,8-dioxo-6-propan-2-yl-14-oxa-4,7-diazabicyclo[13.2.2]nonadeca-1(17),9,15,18-tetraen-3-yl]-2-hydroxyethyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
Synonyms CHEBI:211698
InChi InChI=1S/C35H54N4O5/c1-23(2)32-34(43)36-28(19-24-14-16-27(17-15-24)44-18-10-6-7-13-31(41)37-32)30(40)22-39-21-26-12-9-8-11-25(26)20-29(39)33(42)38-35(3,4)5/h7,13-17,23,25-26,28-30,32,40H,6,8-12,18-22H2,1-5H3,(H,36,43)(H,37,41)(H,38,42)/b13-7-/t25?,26?,28-,29-,30+,32-/m0/s1
InChiKey OOFHOBZEPRIFQH-GFMSVYRFSA-N
Formula C35H54N4O5 Molecular Weight 610.83
Cross Link CHEMBL306727
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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National University of Singapore, Singapore


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