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Ligand

NameMLS001124504
Molecular formulaC20H21N5O3S
IUPAC nameN-[(3-methoxyphenyl)methyl]-4-(8-methyl-7-oxo-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-12-yl)butanamide
Molecular weight411.48
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP1.9
SynonymsAKOS001914664
SMR000628766
HMS2958K24
AB00686268-01
MolPort-003-071-425
[ Show all ]
Inchi KeyANONTZHMMVITKZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H21N5O3S/c1-24-19(27)18-15(9-10-29-18)25-16(22-23-20(24)25)7-4-8-17(26)21-12-13-5-3-6-14(11-13)28-2/h3,5-6,9-11H,4,7-8,12H2,1-2H3,(H,21,26)
PubChem CID7184635
ChEMBLCHEMBL1419486
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
9734Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757

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