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Ligand

Name103-95-7
Molecular formulaC13H18O
IUPAC name2-methyl-3-(4-propan-2-ylphenyl)propanal
Molecular weight190.286
Hydrogen bond acceptor1
Hydrogen bond donor0
XlogP3.3
SynonymsKS-00000WER
p-Isopropyl-.alpha.-methylphenylpropyl aldehyde
.alpha.-Methyl-p-isopropylhydrocinnamaldehyde
xi-3-(4-Isopropylphenyl)-2-methylpropanal
2-methyl-3-(p-isopropylphenyl) propionaldehyde
[ Show all ]
Inchi KeyZFNVDHOSLNRHNN-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H18O/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-14/h4-7,9-11H,8H2,1-3H3
PubChem CID517827
ChEMBLCHEMBL3183483
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
533567Olfactory receptor 5K1Q8NHB7OR5K1Homo sapiens (Human)308

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