CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00529377" 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.

Search Results

CFAM Mol ID CFAMM00529377
Family CFFBM47144 Histamine H3 receptor ligand AGN-PC-077LR7 family
Superfamily CFSAD258 5-hydroxytryptamine receptor 3A Ligand Palonosetron Superfamily
Class CFCAD246 Class 246
External ID 22164215 External Source PubChem
PubChem CID 22164215 Functional Category Patent Compound
Molecule Name AGN-PC-03LBFX
IUPAC Name 12-(4-methylpiperazine-1-carbonyl)-6,8a,9,10,11,12a,13,13a-octahydro-5H-isoquinolino[2,1-g][1,6]naphthyridin-8-one
Synonyms 12-(4-methylpiperazine-1-carbonyl)-6,8a,9,10,11,12a,13,13a-octahydro-5H-isoquinolino[2,1-g][1,6]naphthyridin-8-one
InChi InChI=1S/C22H30N4O2/c1-23-11-13-24(14-12-23)22(28)26-9-4-7-18-20(26)15-19-17-6-3-2-5-16(17)8-10-25(19)21(18)27/h2-3,5-6,18-20H,4,7-15H2,1H3
InChiKey FIXUJRBZTWARRT-UHFFFAOYSA-N
Formula C22H30N4O2 Molecular Weight 382.50
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
 

 

27508 visits since 2014 .........

 



Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


All rights reserved.

   
 
 
Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links

 

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543

hdnkeywordtype:MiniFieldStorage('hdnkeywordtype', 'compound'),None, hdnkeywordtype, compound|txtsearch:MiniFieldStorage('txtsearch', 'CFAMM00529377'),None, txtsearch, CFAMM00529377|