General Information of the Compound
| Compound ID |
CP0509129
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| Compound Name |
methyl 4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzoate
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| Structure |
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| Formula |
C18H20N2O3
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| Molecular Weight |
312.369
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| Canonical SMILES |
COC(=O)c1ccc(cc1)-n1nc(C)c2c1CC(C)(C)CC2=O
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| InChI |
InChI=1S/C18H20N2O3/c1-11-16-14(9-18(2,3)10-15(16)21)20(19-11)13-7-5-12(6-8-13)17(22)23-4/h5-8H,9-10H2,1-4H3
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| InChIKey |
YECFXTYKISJUAQ-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