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Ligand

NameCHEMBL2112727
Molecular formulaC16H20N2O2
IUPAC nameN-[[(1R,2R)-2-(2-ethyl-1,3-benzoxazol-7-yl)cyclopropyl]methyl]propanamide
Molecular weight272.348
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.8
SynonymsBDBM50452032
SCHEMBL6783477
Inchi KeyANKIVXZVMSJHIB-CMPLNLGQSA-N
Inchi IDInChI=1S/C16H20N2O2/c1-3-14(19)17-9-10-8-12(10)11-6-5-7-13-16(11)20-15(4-2)18-13/h5-7,10,12H,3-4,8-9H2,1-2H3,(H,17,19)/t10-,12+/m0/s1
PubChem CID10423378
ChEMBLCHEMBL2112727
IUPHARN/A
BindingDB50452032
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
9638Melatonin receptor type 1AP48039MTNR1AHomo sapiens (Human)350
9637Melatonin receptor type 1BP49286MTNR1BHomo sapiens (Human)362

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