CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00027039" 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 CFAMM00027039
Family CFFAD154 Histamine H1 receptor Ligand Doxepin Family
Superfamily CFSAD144 Histamine H1 receptor Ligand Doxepin Superfamily
Class CFCAD142 Class 142
External ID CHEMBL1719 External Source CHEMBL
PubChem CID 5282402 Functional Category Bioactive
Molecule Name OLOPATADINE HYDROCHLORIDE
IUPAC Name 2-[(11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid;hydrochloride
Synonyms Pataday;Patanase;OLOPATADINE HCl;Allelock;140462-76-6;UNII-2XG66W44KF;ALO4943A;ALO-4943A;KW 4679;KW-4679
InChi InChI=1S/C21H23NO3.ClH/c1-22(2)11-5-8-18-17-7-4-3-6-16(17)14-25-20-10-9-15(12-19(18)20)13-21(23)24;/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24);1H/b18-8-;
InChiKey HVRLZEKDTUEKQH-NOILCQHBSA-N
Formula C21H24ClNO3 Molecular Weight 373.87
Cross Link CHEMBL1719
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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