CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00242048" 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 CFAMM00242048
Family CFFID1541 Histamine H3 receptor Ligand 2-(4-isopropyl-piperazin-1-yl)-quinoline Family
Superfamily CFSID897 cGMP-inhibited 3',5'-cyclic phosphodiesterase A and Histamine H3 receptor Binder Superfamily
Class CFCCD90 Class 903
External ID CHEMBL43305 External Source CHEMBL
PubChem CID 44286630 Functional Category Bioactive
Molecule Name AGN-PC-073MEW
IUPAC Name 3-(butoxymethyl)-2-(4-methylpiperazin-1-yl)-4-phenylquinoline
Synonyms CHEBI:158343;Quinoline, 3-(butoxymethyl)-2-(4-methyl-1-piperazinyl)-4-phenyl-
InChi InChI=1S/C25H31N3O/c1-3-4-18-29-19-22-24(20-10-6-5-7-11-20)21-12-8-9-13-23(21)26-25(22)28-16-14-27(2)15-17-28/h5-13H,3-4,14-19H2,1-2H3
InChiKey OKPZXMBXPXRJLT-UHFFFAOYSA-N
Formula C25H31N3O Molecular Weight 389.53
Cross Link CHEMBL43305
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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