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Ligand

NameCHEMBL1684105
Molecular formulaC21H19NO
IUPAC name2-(cyclopropylmethyl)-6-(2-phenylethynyl)-3,4-dihydroisoquinolin-1-one
Molecular weight301.389
Hydrogen bond acceptor1
Hydrogen bond donor0
XlogP4.2
SynonymsBDBM50337965
SCHEMBL503353
2-(cyclopropylmethyl)-6-(phenylethynyl)-3,4-dihydroisoquinolin-1(2h)-one
Inchi KeyAMCCIZZHSRTGNW-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H19NO/c23-21-20-11-10-17(7-6-16-4-2-1-3-5-16)14-19(20)12-13-22(21)15-18-8-9-18/h1-5,10-11,14,18H,8-9,12-13,15H2
PubChem CID53317271
ChEMBLCHEMBL1684105
IUPHARN/A
BindingDB50337965
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
8735Metabotropic glutamate receptor 5P41594GRM5Homo sapiens (Human)1212

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