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Ligand

Name380589-24-2
Molecular formulaC21H22N2O4S
IUPAC name4-hydroxy-1-(2-morpholin-4-ylethyl)-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
Molecular weight398.477
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.7
SynonymsMolPort-000-834-424
3-hydroxy-1-(2-morpholinoethyl)-5-phenyl-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one
F0916-2990
SR-01000486777-1
MLS002540800
[ Show all ]
Inchi KeyCTYNBVVBUYNCFF-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H22N2O4S/c24-19(16-7-4-14-28-16)17-18(15-5-2-1-3-6-15)23(21(26)20(17)25)9-8-22-10-12-27-13-11-22/h1-7,14,18,25H,8-13H2
PubChem CID2909953
ChEMBLCHEMBL1417897
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
469143fMet-Leu-Phe receptorP21462FPR1Homo sapiens (Human)350

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