CFam Chemical Families Database
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You are searching for "CFAMM00433653" in compound.

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CFAM Mol ID CFAMM00433653
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 CHEMBL431569 External Source CHEMBL
PubChem CID 44310509 Functional Category Bioactive
Molecule Name (3S)-N-tert-butyl-2-[(2R)-2-[(3S,6S,9Z)-5,8-dioxo-6-propan-2-yl-15-oxa-4,7-diazabicyclo[14.2.2]icosa-1(18),9,16,19-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-15-oxa-4,7-diazabicyclo[14.2.2]icosa-1(18),9,16,19-tetraen-3-yl]-2-hydroxyethyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
Synonyms CHEBI:211819
InChi InChI=1S/C36H56N4O5/c1-24(2)33-35(44)37-29(20-25-15-17-28(18-16-25)45-19-11-7-6-8-14-32(42)38-33)31(41)23-40-22-27-13-10-9-12-26(27)21-30(40)34(43)39-36(3,4)5/h8,14-18,24,26-27,29-31,33,41H,6-7,9-13,19-23H2,1-5H3,(H,37,44)(H,38,42)(H,39,43)/b14-8-/t26?,27?,29-,30-,31+,33-/m0/s1
InChiKey QTAYUWFZSBEHPK-SADARCSXSA-N
Formula C36H56N4O5 Molecular Weight 624.85
Cross Link CHEMBL431569
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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