CFam Chemical Families Database
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You are searching for "CFAMM00232122" in compound.

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CFAM Mol ID CFAMM00232122
Family CFFID1212 Plasmepsin-2 Inhibitor PS-662477 Family
Superfamily CFSAD343 Glucan synthesis regulatory protein Inhibitor Anidulafungin Superfamily
Class CFCAD322 Class 322
External ID ZINC04085034 External Source ZINC
PubChem CID 11876668 Functional Category Natural Product
Molecule Name (S,E)-3-(2,4-dimethoxybenzylidene)-2,3,11,11a-tetrahydro-1H-pyrazino[1,2-b]isoquinoline-1,4(6H)-dione
IUPAC Name (3E,11aS)-3-[(2,4-dimethoxyphenyl)methylidene]-11,11a-dihydro-6H-pyrazino[1,2-b]isoquinoline-1,4-dione
Synonyms STOCK1N-60759;MolPort-002-531-420
InChi InChI=1S/C21H20N2O4/c1-26-16-8-7-14(19(11-16)27-2)9-17-21(25)23-12-15-6-4-3-5-13(15)10-18(23)20(24)22-17/h3-9,11,18H,10,12H2,1-2H3,(H,22,24)/b17-9+/t18-/m0/s1
InChiKey HNXFGEZELAWBJN-GONKEYIRSA-N
Formula C21H20N2O4 Molecular Weight 364.39
Cross Link
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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