General Information of the Compound
| Compound ID |
CP0940887
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| Compound Name |
2,3,5-Trimethyl-6-(1-pyridin-3-yl-pentyl)-[1,4]benzoquinone
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| Structure |
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| Formula |
C19H23NO2
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| Molecular Weight |
297.398
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| Canonical SMILES |
CCCCC(C1=C(C)C(=O)C(C)=C(C)C1=O)c1cccnc1
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| InChI |
InChI=1S/C19H23NO2/c1-5-6-9-16(15-8-7-10-20-11-15)17-14(4)18(21)12(2)13(3)19(17)22/h7-8,10-11,16H,5-6,9H2,1-4H3
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| InChIKey |
FXYFIMZZNRLYOL-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