CFam Chemical Families Database
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You are searching for "CFAMM00559911" in compound.

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CFAM Mol ID CFAMM00559911
Family CFFNP1407 6,7-dihydropyrimido[6,1-a]isoquinolin-4-one NP ZINC02112138 Family
Superfamily CFSNP332 9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one NP 2-(4-(benzyloxy)phenoxy)-9,10-dimethoxy-6,7-dihydro-4h-pyrimido[6,1-a]isoquinolin-4-one and 6,7-dihydropyrimido[6,1-a]isoquinolin-4-one NP ZINC02112138 Superfamily
Class CFCBM597 Class 3647
External ID ZINC02130533 External Source ZINC
PubChem CID 1785777 Functional Category Natural Product
Molecule Name 9,10-dimethoxy-2-(4-pentanoylphenoxy)-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one
IUPAC Name 9,10-dimethoxy-2-(4-pentanoylphenoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Synonyms STOCK1N-56515;MolPort-002-528-831;ZINC02130533;MCULE-2854747822;9,10-dimethoxy-2-(4-pentanoylphenoxy)-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one;9,10-dimethoxy-2-(4-pentanoylphenoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
InChi InChI=1S/C25H26N2O5/c1-4-5-6-21(28)16-7-9-18(10-8-16)32-24-15-20-19-14-23(31-3)22(30-2)13-17(19)11-12-27(20)25(29)26-24/h7-10,13-15H,4-6,11-12H2,1-3H3
InChiKey FDSAPANDAZILLM-UHFFFAOYSA-N
Formula C25H26N2O5 Molecular Weight 434.48
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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