General Information of the Compound
| Compound ID |
CP0658419
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| Compound Name |
2,3,5-Trimethyl-6-pyridin-3-ylmethyl-[1,4]benzoquinone
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| Synonyms |
117574-40-0
2,3,5-Trimethyl-6-(3-pyridylmethyl)-1,4-benzoquinone
2,5-Cyclohexadiene-1,4-dione, 2,3,5-trimethyl-6-(3-pyridinylmethyl)-
2,5-Cyclohexadiene-1,4-dione,2,3,5-trimethyl-6-(3-pyridinylmethyl)-
6-(3-pyridylmethyl)-2,3,5-trimethyl-1,4-benzoquinone
AC1L3QEW
ACMC-20mn9v
CTK4B0337
CV 6504
CV-6504
DTXSID80151827
EX-A2681
IPGAFOVEIIWXFR-UHFFFAOYSA-N
SCHEMBL2715544
ZINC4541
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| Structure |
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| Formula |
C15H15NO2
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| Molecular Weight |
241.29
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| Canonical SMILES |
CC1=C(C)C(=O)C(Cc2cccnc2)=C(C)C1=O
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| InChI |
InChI=1S/C15H15NO2/c1-9-10(2)15(18)13(11(3)14(9)17)7-12-5-4-6-16-8-12/h4-6,8H,7H2,1-3H3
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| InChIKey |
IPGAFOVEIIWXFR-UHFFFAOYSA-N
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| CAS |
117574-40-0
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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
Clinical Information about the Compound
Drug 1 ( CV-6504 )
| Drug Name | CV-6504 | ||
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| Target(s) |
Arachidonate 5-lipoxygenase (5-LOX)
Inhibitor
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