CFam Chemical Families Database
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You are searching for "CFAMM00299985" 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 CFAMM00299985
Family CFFID3903 Sodium-dependent dopamine transporter Inhibitor Secocularidine Family
Superfamily CFSAD354 Acetylcholinesterase Inhibitor Galantamine Superfamily
Class CFCAD332 Class 332
External ID DNC013977 External Source TTD
PubChem CID 44559879 Functional Category Investigative Drug
Molecule Name SECOCULARIDINE
IUPAC Name 7-[2-(dimethylamino)ethyl]-2,3-dimethoxybenzo[b][1]benzoxepin-10-ol
Synonyms AGN-PC-078UCT;CHEMBL508081;CHEBI:546073;DNC013977;Dibenz[b,f]oxepin-4-ol, 1-[2-(dimethylamino)ethyl]-7,8-dimethoxy-
InChi InChI=1S/C20H23NO4/c1-21(2)10-9-13-6-8-16(22)20-15(13)7-5-14-11-18(23-3)19(24-4)12-17(14)25-20/h5-8,11-12,22H,9-10H2,1-4H3
InChiKey DBGGUODEECPLSS-UHFFFAOYSA-N
Formula C20H23NO4 Molecular Weight 341.40
Cross Link CHEMBL508081
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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