CFam Chemical Families Database
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You are searching for "CFAMM00027047" 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 CFAMM00027047
Family CFFAD154 Histamine H1 receptor Ligand Doxepin Family
Superfamily CFSAD144 Histamine H1 receptor Ligand Doxepin Superfamily
Class CFCAD142 Class 142
External ID CHEMBL199157 External Source CHEMBL
PubChem CID 44404947 Functional Category Bioactive
Molecule Name SureCN13538511
IUPAC Name 2-[(11Z)-11-[2-(dimethylamino)ethylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid
Synonyms CHEBI:431252
InChi InChI=1S/C20H21NO3/c1-21(2)10-9-17-16-6-4-3-5-15(16)13-24-19-8-7-14(11-18(17)19)12-20(22)23/h3-9,11H,10,12-13H2,1-2H3,(H,22,23)/b17-9-
InChiKey BMMSDSQQAGDCHS-MFOYZWKCSA-N
Formula C20H21NO3 Molecular Weight 323.39
Cross Link CHEMBL199157
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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