General Information of the Compound
| Compound ID |
CP0285852
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| Compound Name |
2-methyl-4,9-dioxo-3-benzo[f]benzofurancarboxylic acid ethyl ester
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| Structure |
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| Formula |
C16H12O5
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| Molecular Weight |
284.267
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| Canonical SMILES |
CCOC(=O)c1c(C)oc2c1C(=O)c1ccccc1C2=O
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| InChI |
InChI=1S/C16H12O5/c1-3-20-16(19)11-8(2)21-15-12(11)13(17)9-6-4-5-7-10(9)14(15)18/h4-7H,3H2,1-2H3
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| InChIKey |
HMFXUSUJCQTNPX-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: PT06033, Microphthalmia-associated transcription factor
Protein ID: PT06172, Mothers against decapentaplegic homolog 3