CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00050094" 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.

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CFAM Mol ID CFAMM00050094
Family CFFAD317 Melatonin receptor type 1A Ligand Melatonin Family
Superfamily CFSAD271 Melatonin receptor type 1A Ligand Melatonin Superfamily
Class CFCAD24 Class 24
External ID CHEMBL76237 External Source CHEMBL
PubChem CID 6918542 Functional Category Bioactive
Molecule Name MS-245
IUPAC Name 2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-N,N-dimethylethanamine
Synonyms AC1OCFKC;SureCN5499070;MS 245;PDSP1_000372;PDSP1_000373;PDSP2_000370;PDSP2_000371;KB-78965;2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-N,N-dimethylethanamine
InChi InChI=1S/C19H22N2O3S/c1-20(2)12-11-15-14-21(19-10-9-16(24-3)13-18(15)19)25(22,23)17-7-5-4-6-8-17/h4-10,13-14H,11-12H2,1-3H3
InChiKey AIJIQCBYMBZLJD-UHFFFAOYSA-N
Formula C19H22N2O3S Molecular Weight 358.45
Cross Link CHEMBL76237
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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