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Ligand

NameSMR000030857
Molecular formulaC17H23N3O4S
IUPAC name3-(3-ethoxypropyl)-N-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
Molecular weight365.448
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP0.9
SynonymsHMS2403L16
3-(3-ethoxypropyl)-N-(2-methoxyethyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
MLS000095303
AC1MMFPO
SR-01000558485
[ Show all ]
Inchi KeyACAAEQJQUJOVFJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H23N3O4S/c1-3-24-9-4-8-20-16(22)13-6-5-12(11-14(13)19-17(20)25)15(21)18-7-10-23-2/h5-6,11H,3-4,7-10H2,1-2H3,(H,18,21)(H,19,25)
PubChem CID3238037
ChEMBLCHEMBL1344963
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
1355Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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