CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00269187" 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 CFAMM00269187
Family CFFID2476 Histamine H3 receptor and Sodium-dependent serotonin transporter Ligand JNJ-28583867 Family
Superfamily CFSID1792 Histamine H3 receptor and Sodium-dependent serotonin transporter Ligand JNJ-28583867 Superfamily
Class CFCID81 Class 1431
External ID CHEMBL539525 External Source CHEMBL
PubChem CID 45264631 Functional Category Bioactive
Molecule Name AGN-PC-07C1XB
IUPAC Name 4-[3-(4-benzhydrylpiperazin-1-yl)propoxy]-2,3,6-trimethylphenol;hydrochloride
Synonyms 4-[3-(4-benzhydrylpiperazin-1-yl)propoxy]-2,3,6-trimethylphenol;hydrochloride
InChi InChI=1S/C29H36N2O2.ClH/c1-22-21-27(23(2)24(3)29(22)32)33-20-10-15-30-16-18-31(19-17-30)28(25-11-6-4-7-12-25)26-13-8-5-9-14-26;/h4-9,11-14,21,28,32H,10,15-20H2,1-3H3;1H
InChiKey QKNHHBXGEAQRIL-UHFFFAOYSA-N
Formula C29H37ClN2O2 Molecular Weight 481.07
Cross Link CHEMBL539525
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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