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Ligand

NameCHEMBL3715817
Molecular formulaC22H26N2O5
IUPAC name9-(cyclopropylmethoxymethyl)-2-[[(2S)-1,4-dioxan-2-yl]methoxy]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Molecular weight398.459
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP1.5
SynonymsSCHEMBL15051175
Inchi KeyABVVTAOXKDJPMY-SFHVURJKSA-N
Inchi IDInChI=1S/C22H26N2O5/c25-22-23-21(29-14-18-13-26-7-8-28-18)10-20-19-4-3-16(12-27-11-15-1-2-15)9-17(19)5-6-24(20)22/h3-4,9-10,15,18H,1-2,5-8,11-14H2/t18-/m0/s1
PubChem CID89645519
ChEMBLCHEMBL3715817
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
521474G-protein coupled receptor 84Q9NQS5GPR84Homo sapiens (Human)396

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