General Information of the Compound
| Compound ID |
CP0914249
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| Compound Name |
3-(2,5-Dimethyl-3,6-dioxo-4-pyridin-3-ylmethyl-cyclohexa-1,4-dienyl)-2-methyl-acrylic acid
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| Structure |
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| Formula |
C18H17NO4
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| Molecular Weight |
311.337
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| Canonical SMILES |
CC1=C(/C=C(\C)C(=O)O)C(=O)C(C)=C(Cc2cccnc2)C1=O
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| InChI |
InChI=1S/C18H17NO4/c1-10(18(22)23)7-14-11(2)17(21)15(12(3)16(14)20)8-13-5-4-6-19-9-13/h4-7,9H,8H2,1-3H3,(H,22,23)/b10-7+
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| InChIKey |
BKSUCFRITJUIKS-JXMROGBWSA-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