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Ligand

Name{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetonitrile
Molecular formulaC17H13N3O2S
IUPAC name2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile
Molecular weight323.37
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.1
SynonymsMLS000108142
Cambridge id 5728160
Oprea1_530492
Oprea1_656419
AC1M0E52
[ Show all ]
Inchi KeyABHZRNMWCQKNCH-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H13N3O2S/c1-22-13-8-6-12(7-9-13)20-16(21)14-4-2-3-5-15(14)19-17(20)23-11-10-18/h2-9H,11H2,1H3
PubChem CID1973768
ChEMBLCHEMBL1368372
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
874Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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