General Information of the Compound
| Compound ID |
CP0404787
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| Compound Name |
3-ethyl-7,8-dimethylbenzo[g][1]benzofuran-4,5-dione
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| Structure |
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| Formula |
C16H14O3
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| Molecular Weight |
254.285
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| Canonical SMILES |
CCc1coc-2c1C(=O)C(=O)c1cc(C)c(C)cc-21
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| InChI |
InChI=1S/C16H14O3/c1-4-10-7-19-16-12-6-9(3)8(2)5-11(12)14(17)15(18)13(10)16/h5-7H,4H2,1-3H3
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| InChIKey |
GJMNSIRRQPVNMB-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: PT00838, NAD(P)H dehydrogenase [quinone] 1
Protein ID: PT03283, NADPH--cytochrome P450 reductase