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Ligand

NameMLS000034506
Molecular formulaC29H31N5O2
IUPAC nameN-[3-benzyl-2-methyl-7-(4-methylpiperazin-1-yl)-4-oxoquinazolin-6-yl]-2-phenylacetamide
Molecular weight481.6
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.1
SynonymsSMR000005633
N-[3-benzyl-2-methyl-7-(4-methylpiperazin-1-yl)-4-oxoquinazolin-6-yl]-2-phenylacetamide
N-[3-Benzyl-2-methyl-7-(4-methyl-piperazin-1-yl)-4-oxo-3,4-dihydro-quinazolin-6-yl]-2-phenyl-acetamide
AC1LCPPM
MLS000889307
[ Show all ]
Inchi KeyAELCCCWWNDHJKN-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H31N5O2/c1-21-30-25-19-27(33-15-13-32(2)14-16-33)26(31-28(35)17-22-9-5-3-6-10-22)18-24(25)29(36)34(21)20-23-11-7-4-8-12-23/h3-12,18-19H,13-17,20H2,1-2H3,(H,31,35)
PubChem CID654035
ChEMBLCHEMBL1573929
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
3589Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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