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Ligand

NameSMR000021507
Molecular formulaC23H20FN5O4S
IUPAC nameN-[[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide
Molecular weight481.502
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP3.1
SynonymsAB00156025-10
HMS2314K18
N-[[5-[[2-(4-fluoroanilino)-2-keto-ethyl]thio]-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-2-furamide
BDBM37736
MLS000878897
[ Show all ]
Inchi KeyAYACUCITSRXJPL-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H20FN5O4S/c1-32-18-6-3-2-5-17(18)29-20(13-25-22(31)19-7-4-12-33-19)27-28-23(29)34-14-21(30)26-16-10-8-15(24)9-11-16/h2-12H,13-14H2,1H3,(H,25,31)(H,26,30)
PubChem CID3243318
ChEMBLCHEMBL1309064
IUPHARN/A
BindingDB37736
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
17266fMet-Leu-Phe receptorP21462FPR1Homo sapiens (Human)350
17265N-formyl peptide receptor 2P25090FPR2Homo sapiens (Human)351

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