General Information of the Compound
| Compound ID |
CP0920741
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| Compound Name |
2,3,5-Trimethyl-6-(1-pyridin-3-yl-ethyl)-[1,4]benzoquinone
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| Structure |
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| Formula |
C16H17NO2
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| Molecular Weight |
255.317
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| Canonical SMILES |
CC1=C(C)C(=O)C(C(C)c2cccnc2)=C(C)C1=O
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| InChI |
InChI=1S/C16H17NO2/c1-9-10(2)16(19)14(12(4)15(9)18)11(3)13-6-5-7-17-8-13/h5-8,11H,1-4H3
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| InChIKey |
PBWLXDGSIPDOLK-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