General Information of the Compound
| Compound ID |
CP0065982
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| Compound Name |
ethyl 4-(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)benzoate
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| Structure |
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| Formula |
C18H17N3O3
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| Molecular Weight |
323.352
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| Canonical SMILES |
CCOC(=O)c1ccc(cc1)-c1c(C)[nH]n(-c2ccccn2)c1=O
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| InChI |
InChI=1S/C18H17N3O3/c1-3-24-18(23)14-9-7-13(8-10-14)16-12(2)20-21(17(16)22)15-6-4-5-11-19-15/h4-11,20H,3H2,1-2H3
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| InChIKey |
HDDJWSOUEOKVKX-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound