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Ligand

NameAC1MDGI7
Molecular formulaC19H20N4O5S
IUPAC name1-hexyl-4-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)-2-oxoquinoline-3-carboxamide
Molecular weight416.452
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.3
SynonymsZINC100331702
1-hexyl-2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)-4-oxoquinoline-3-carboxamide
BAS 00287622
MCULE-1442062917
3-Quinolinecarboxamide, N-(5-nitrothiazol-2-yl)-1,2-dihydro-4-hydroxy-1-hexyl-2-oxo-
[ Show all ]
Inchi KeyFEWIYSSZBYTYER-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H20N4O5S/c1-2-3-4-7-10-22-13-9-6-5-8-12(13)16(24)15(18(22)26)17(25)21-19-20-11-14(29-19)23(27)28/h5-6,8-9,11,24H,2-4,7,10H2,1H3,(H,20,21,25)
PubChem CID54676511
ChEMBLCHEMBL3986795
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
537872Smoothened homologP56726SmoMus musculus (Mouse)793

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