CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00217581" in compound.

Total 1 results found.

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 CFAMM00217581
Family CFFID721 5-hydroxytryptamine receptor 2A and D(2) dopamine receptor Ligand Aniracetam Family
Superfamily CFSID592 Neutrophil elastase and D(2) dopamine receptor Binder Superfamily
Class CFCID416 Class 1766
External ID 21463047 External Source PubChem
PubChem CID 21463047 Functional Category Patent Compound
Molecule Name AGN-PC-03B8EA
IUPAC Name 4-(2-ethylphenyl)-N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-1-oxoisoquinoline-3-carboxamide
Synonyms SureCN8785783;4-(2-ethylphenyl)-N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-1-oxoisoquinoline-3-carboxamide
InChi InChI=1S/C28H28N2O3/c1-5-20-10-6-7-11-22(20)25-23-12-8-9-13-24(23)27(31)30(3)26(25)28(32)29(2)18-19-14-16-21(33-4)17-15-19/h6-17H,5,18H2,1-4H3
InChiKey WYJZIXBROQULCN-UHFFFAOYSA-N
Formula C28H28N2O3 Molecular Weight 440.53
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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