CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00099706" 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 CFAMM00099706
Family CFFAD733 Histamine H1 receptor ligand diphenylpiperidine analog Diphenylpyraline Family
Superfamily CFSAD302 Biogenic amine receptor Diphenhydramine Phendimetrazine Diphenylpyraline Superfamily
Class CFCAD231 Class 231
External ID CHEMBL542933 External Source CHEMBL
PubChem CID 10238982 Functional Category Bioactive
Molecule Name SMR000326872
IUPAC Name 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine;hydrochloride
Synonyms MLS000860014;MLS001060846;MLS002222238;DNC004324;NCGC00180948-01
InChi InChI=1S/C28H32F2N2O.ClH/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23;/h1-3,5-6,8-15,28H,4,7,16-22H2;1H
InChiKey VAHMWGICKYTGSY-UHFFFAOYSA-N
Formula C28H33ClF2N2O Molecular Weight 487.02
Cross Link CHEMBL542933
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
 

 

55287 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', 'CFAMM00099706'),None, txtsearch, CFAMM00099706|