Pxl-770
potassium;2-chloro-3-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-6-oxo-5-phenyl-7H-thieno[2,3-b]pyridin-4-olate;hydrate
Molecular Identity
Pxl-770
potassium;2-chloro-3-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-6-oxo-5-phenyl-7H-thieno[2,3-b]pyridin-4-olate;hydrate
PubChem CID: 164180694
2D Structure
Properties
C23H19ClKNO4S
Molecular Formula
480.00
Molecular Weight
g/mol
479.0360
Exact Mass
Da
102
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
5
H-Bond Acceptors
685
Complexity
SMILES
Canonical SMILES
SMILES: C1CCC2=C(C1)C=CC(=C2O)C3=C(SC4=C3C(=C(C(=O)N4)C5=CC=CC=C5)[O-])Cl.O.[K+]Isomeric SMILES
SMILES: C1CCC2=C(C1)C=CC(=C2O)C3=C(SC4=C3C(=C(C(=O)N4)C5=CC=CC=C5)[O-])Cl.O.[K+]Synonyms(5)
PXL-770414C1D1T0T2422001-64-5RefChem:930303PXL770
Data from PubChem (NCBI)
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