BC11-38   Click here for help

GtoPdb Ligand ID: 6559

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 84.97
Molecular weight 304.07
XLogP 3.97
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCCSc1nc2CCSc2c(=O)n1c1ccccc1
Isomeric SMILES CCCSc1nc2CCSc2c(=O)n1c1ccccc1
InChI InChI=1S/C15H16N2OS2/c1-2-9-20-15-16-12-8-10-19-13(12)14(18)17(15)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
InChI Key YHNDCCKFNWDQGW-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-phenyl-2-(propylsulfanyl)-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one
Database Links Click here for help
GtoPdb PubChem SID 178103173
PubChem CID 2052828
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Tocris
BC 11-38
Cat. No. 4496