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Ligand

NameAC1ND9AI
Molecular formulaC19H18N2O2S
IUPAC name2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanamide
Molecular weight338.425
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.0
SynonymsMLS000516184
CHEMBL1602227
SCHEMBL16294792
MolPort-003-207-534
HMS2647O11
[ Show all ]
Inchi KeyAHXSRSHNHXYFSK-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H18N2O2S/c1-12(19(20)22)24-18-11-16(13-6-4-3-5-7-13)15-9-8-14(23-2)10-17(15)21-18/h3-12H,1-2H3,(H2,20,22)
PubChem CID4571607
ChEMBLCHEMBL1602227
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
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GLASS IDNameUniProtGeneSpeciesLength
5964Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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