General Information of the Compound
| Compound ID |
CP0895609
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| Compound Name |
2-(6-Hydroxy-1-pyridin-3-yl-hexyl)-3,5,6-trimethyl-[1,4]benzoquinone
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| Structure |
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| Formula |
C20H25NO3
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| Molecular Weight |
327.424
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| Canonical SMILES |
CC1=C(C)C(=O)C(C(CCCCCO)c2cccnc2)=C(C)C1=O
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| InChI |
InChI=1S/C20H25NO3/c1-13-14(2)20(24)18(15(3)19(13)23)17(9-5-4-6-11-22)16-8-7-10-21-12-16/h7-8,10,12,17,22H,4-6,9,11H2,1-3H3
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| InChIKey |
QSLFOEUQWXCPOX-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