CFam Chemical Families Database
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You are searching for "CFAMM00571503" in compound.

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CFAM Mol ID CFAMM00571503
Family CFFNP3686 Putative NP ZINC20410535 Family
Superfamily CFSNP220 1-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)ethanone NP 1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)ethanone and 5-[3-[(3-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)oxy]prop-1-ynyl]-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline NP ZINC20113915 Superfamily
Class CFCAD621 Class 621
External ID ZINC20410537 External Source ZINC
PubChem CID 1415269 Functional Category Natural Product
Molecule Name 2-(9-bromo-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(thiophen-2-yl)ethanone hydrobromide
IUPAC Name 2-[(5R)-9-bromo-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-1-thiophen-2-ylethanone
Synonyms ZINC20410537;2-[(5R)-9-bromo-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-1-thiophen-2-ylethanone
InChi InChI=1S/C18H18BrNO4S/c1-20-6-5-10-14(11(20)8-12(21)13-4-3-7-25-13)16(22-2)18-17(15(10)19)23-9-24-18/h3-4,7,11H,5-6,8-9H2,1-2H3/t11-/m1/s1
InChiKey UKFWHNHUGQLTAK-LLVKDONJSA-N
Formula C18H18BrNO4S Molecular Weight 424.31
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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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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