General Information of the Compound
| Compound ID |
CP0396911
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| Compound Name |
ethyl 2-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzoate
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| Structure |
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| Formula |
C19H22N2O3
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| Molecular Weight |
326.396
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| Canonical SMILES |
CCOC(=O)c1ccccc1-n1nc(C)c2c1CC(C)(C)CC2=O
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| InChI |
InChI=1S/C19H22N2O3/c1-5-24-18(23)13-8-6-7-9-14(13)21-15-10-19(3,4)11-16(22)17(15)12(2)20-21/h6-9H,5,10-11H2,1-4H3
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| InChIKey |
XDIFSYAQXYESOU-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