CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00044599" 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 CFAMM00044599
Family CFFAD256 D(2) dopamine receptor Ligand Remoxipride Family
Superfamily CFSAD227 D(2) dopamine receptor Ligand Remoxipride Superfamily
Class CFCAD35 Class 35
External ID CHEMBL403148 External Source CHEMBL
PubChem CID 24947752 Functional Category Bioactive
Molecule Name [4-(3-methoxyphenoxy)-3-(methylaminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
IUPAC Name [4-(3-methoxyphenoxy)-3-(methylaminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
Synonyms AGN-PC-04UG0E;SureCN4017902;[4-(3-methoxyphenoxy)-3-(methylaminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
InChi InChI=1S/C23H31N3O3/c1-17(2)25-10-12-26(13-11-25)23(27)18-8-9-22(19(14-18)16-24-3)29-21-7-5-6-20(15-21)28-4/h5-9,14-15,17,24H,10-13,16H2,1-4H3
InChiKey XQRFKDJVDZKQDO-UHFFFAOYSA-N
Formula C23H31N3O3 Molecular Weight 397.51
Cross Link CHEMBL403148
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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