CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00375777" 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 CFAMM00375777
Family CFFBM6922 D(2) dopamine receptor ligand 129722-25-4 family
Superfamily CFSBM736 D(2) dopamine receptor and Methionine--tRNA ligase Binder Superfamily
Class CFCAD409 Class 409
External ID CHEMBL495572 External Source CHEMBL
PubChem CID 25186023 Functional Category Bioactive
Molecule Name AGN-PC-04XHYH
IUPAC Name 3-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentoxy]isoquinoline
Synonyms SureCN4535451;CHEBI:594225;3-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentoxy]isoquinoline
InChi InChI=1S/C24H27Cl2N3O/c25-21-9-6-10-22(24(21)26)29-14-12-28(13-15-29)11-4-1-5-16-30-23-17-19-7-2-3-8-20(19)18-27-23/h2-3,6-10,17-18H,1,4-5,11-16H2
InChiKey KPLQQMQZQUMPCN-UHFFFAOYSA-N
Formula C24H27Cl2N3O Molecular Weight 444.40
Cross Link CHEMBL495572
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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