CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00045691" 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 CFAMM00045691
Family CFFAD270 Histamine H1 receptor ligand tricyclic antidepressant Desloratadine Family
Superfamily CFSAD88 Histamine H1 receptor ligand tricyclic antidepressant Superfamily
Class CFCAD88 Class 88
External ID CHEMBL201465 External Source CHEMBL
PubChem CID 44407679 Functional Category Bioactive
Molecule Name (11S)-8-chloro-11-(1-methylsulfonylpiperidin-4-yl)-5-piperazin-1-yl-11H-benzo[1,2]cyclohepta[2,4-b]pyridine
IUPAC Name (11S)-8-chloro-11-(1-methylsulfonylpiperidin-4-yl)-5-piperazin-1-yl-11H-benzo[1,2]cyclohepta[2,4-b]pyridine
Synonyms CHEBI:438980
InChi InChI=1S/C24H29ClN4O2S/c1-32(30,31)29-11-6-17(7-12-29)23-20-5-4-19(25)15-18(20)16-22(28-13-9-26-10-14-28)21-3-2-8-27-24(21)23/h2-5,8,15-17,23,26H,6-7,9-14H2,1H3/t23-/m0/s1
InChiKey ZIGSEKZLCYCKCR-QHCPKHFHSA-N
Formula C24H29ClN4O2S Molecular Weight 473.03
Cross Link CHEMBL201465
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
 

 

54009 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', 'CFAMM00045691'),None, txtsearch, CFAMM00045691|