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Name | propyl 4-{[(4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)carbonyl]amino}benzoate |
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Molecular formula | C21H20N2O5 |
IUPAC name | propyl 4-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]benzoate |
Molecular weight | 380.4 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 3.2 |
Synonyms | Oprea1_135734 AKOS005382140 MCULE-2101871974 300586-05-4 propyl 4-[(2-hydroxy-1-methyl-4-oxoquinoline-3-carbonyl)amino]benzoate [ Show all ] |
Inchi Key | BGWQIYOLWFGCAN-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C21H20N2O5/c1-3-12-28-21(27)13-8-10-14(11-9-13)22-19(25)17-18(24)15-6-4-5-7-16(15)23(2)20(17)26/h4-11,24H,3,12H2,1-2H3,(H,22,25) |
PubChem CID | 54676459 |
ChEMBL | CHEMBL3907161 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
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536579 | Smoothened homolog | P56726 | Smo | Mus musculus (Mouse) | 793 |
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