SR8278   

GtoPdb Ligand ID: 2904

Synonyms: SR 8278 | SR-8278
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 100.15
Molecular weight 361.08
XLogP 2.78
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCOC(=O)C1Cc2ccccc2CN1C(=O)c1ccc(s1)SC
Isomeric SMILES CCOC(=O)C1Cc2ccccc2CN1C(=O)c1ccc(s1)SC
InChI InChI=1S/C18H19NO3S2/c1-3-22-18(21)14-10-12-6-4-5-7-13(12)11-19(14)17(20)15-8-9-16(23-2)24-15/h4-9,14H,3,10-11H2,1-2H3
InChI Key UIEBLUZPSFAFOC-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
ethyl 2-{[5-(methylsulfanyl)thiophen-2-yl]carbonyl}-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
Synonyms
SR 8278 | SR-8278
Database Links
CAS Registry No. 1254944-66-5 (source: Scifinder)
GtoPdb PubChem SID 135651083
PubChem CID 53393127
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Tocris
SR 8278
Cat. No. 4463