CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00431616" 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 CFAMM00431616
Family CFFBM14991 Endothelin-1 receptor and Endothelin B receptor ligand SureCN795073 family
Superfamily CFSID369 Endothelin-1 receptor Ligand PD156707 Superfamily
Class CFCID256 Class 1606
External ID 54681185 External Source PubChem
PubChem CID 54681185 Functional Category Patent Compound
Molecule Name AGN-PC-0AAIH4
IUPAC Name 3-(1-benzylsulfanyl-3-methylbutyl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxypyran-2-one
Synonyms SureCN6965574;3-(1-benzylsulfanyl-3-methylbutyl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxypyran-2-one
InChi InChI=1S/C25H26O5S/c1-16(2)12-23(31-15-17-6-4-3-5-7-17)24-19(26)14-21(30-25(24)27)18-8-9-20-22(13-18)29-11-10-28-20/h3-9,13-14,16,23,26H,10-12,15H2,1-2H3
InChiKey JLWYFHWLYZPNLA-UHFFFAOYSA-N
Formula C25H26O5S Molecular Weight 438.54
Cross Link
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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