General Information of the Compound
| Compound ID |
CP0497878
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| Compound Name |
2,3-Dimethoxy-5-methyl-6-pyridin-3-ylmethyl-[1,4]benzoquinone
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| Structure |
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| Formula |
C15H15NO4
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| Molecular Weight |
273.288
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| Canonical SMILES |
COC1=C(OC)C(=O)C(Cc2cccnc2)=C(C)C1=O
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| InChI |
InChI=1S/C15H15NO4/c1-9-11(7-10-5-4-6-16-8-10)13(18)15(20-3)14(19-2)12(9)17/h4-6,8H,7H2,1-3H3
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| InChIKey |
AWQQDKNKCFOJAC-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