CFam Chemical Families Database
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You are searching for "CFAMM00559140" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00559140
Family CFFNP1302 7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline NP ZINC33345333 Family
Superfamily CFSID819 5-hydroxytryptamine receptor 2A Binder Superfamily
Class CFCAD38 Class 38
External ID ZINC20113874 External Source ZINC
PubChem CID 906432 Functional Category Natural Product
Molecule Name AC1LILA8
IUPAC Name (5R)-4-methoxy-6-methyl-5-[(1R)-1-nitropropyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
Synonyms ZINC20113874;(5R)-4-methoxy-6-methyl-5-[(1R)-1-nitropropyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
InChi InChI=1S/C15H20N2O5/c1-4-10(17(18)19)13-12-9(5-6-16(13)2)7-11-14(15(12)20-3)22-8-21-11/h7,10,13H,4-6,8H2,1-3H3/t10-,13+/m1/s1
InChiKey MQCPYEYBHUVZJP-MFKMUULPSA-N
Formula C15H20N2O5 Molecular Weight 308.33
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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