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Ligand

NameCHEMBL32740
Molecular formulaC23H23N3O3
IUPAC name1-[1-(2-methyl-1H-indole-5-carbonyl)piperidin-4-yl]-4H-3,1-benzoxazin-2-one
Molecular weight389.455
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.5
SynonymsBDBM50219529
Inchi KeyCBFKPANXJWRIIF-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H23N3O3/c1-15-12-18-13-16(6-7-20(18)24-15)22(27)25-10-8-19(9-11-25)26-21-5-3-2-4-17(21)14-29-23(26)28/h2-7,12-13,19,24H,8-11,14H2,1H3
PubChem CID44279329
ChEMBLCHEMBL32740
IUPHARN/A
BindingDB50219529
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
37829Oxytocin receptorP30559OXTRHomo sapiens (Human)389

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