CFam Chemical Families Database
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You are searching for "CFAMM00520872" 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 CFAMM00520872
Family CFFBM42992 Melanin-concentrating hormone receptor 1 ligand AGN-PC-075HBO family
Superfamily CFSBM14144 Melanin-concentrating hormone receptor 1 ligand AGN-PC-075HBO Superfamily
Class CFCBM68 Class 3118
External ID ZINC04000500 External Source ZINC
PubChem CID 7070213 Functional Category Natural Product
Molecule Name 2-[[(5R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]amino]benzonitrile
IUPAC Name 2-[[(5R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]amino]benzonitrile
Synonyms AC1OF7GB;2-[[(5R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]amino]benzonitrile
InChi InChI=1S/C19H19N3O3/c1-22-8-7-12-9-15-17(25-11-24-15)18(23-2)16(12)19(22)21-14-6-4-3-5-13(14)10-20/h3-6,9,19,21H,7-8,11H2,1-2H3/p+1/t19-/m1/s1
InChiKey CTFGTJIDRGRBCD-LJQANCHMSA-O
Formula C19H20N3O3+ Molecular Weight 338.38
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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