General Information of the Compound
| Compound ID |
CP0039843
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| Compound Name |
2-methyl-4,5-dioxo-3H-benzo[e]indole-1-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C16H13NO4
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| Molecular Weight |
283.283
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| Canonical SMILES |
CCOC(=O)c1c(C)[nH]c2c1-c1ccccc1C(=O)C2=O
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| InChI |
InChI=1S/C16H13NO4/c1-3-21-16(20)11-8(2)17-13-12(11)9-6-4-5-7-10(9)14(18)15(13)19/h4-7,17H,3H2,1-2H3
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| InChIKey |
OIWQLSMNVRMWRN-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8