General Information of the Compound
| Compound ID |
CP0894577
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| Compound Name |
2-Methyl-3-{2-[pyridin-3-yl-(2,4,5-trimethyl-3,6-dioxo-cyclohexa-1,4-dienyl)-methyl]-phenyl}-acrylic acid
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| Structure |
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| Formula |
C25H23NO4
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| Molecular Weight |
401.462
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| Canonical SMILES |
CC1=C(C)C(=O)C(C(c2cccnc2)c2cccc(/C=C(\C)C(=O)O)c2)=C(C)C1=O
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| InChI |
InChI=1S/C25H23NO4/c1-14(25(29)30)11-18-7-5-8-19(12-18)22(20-9-6-10-26-13-20)21-17(4)23(27)15(2)16(3)24(21)28/h5-13,22H,1-4H3,(H,29,30)/b14-11+
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| InChIKey |
HUIYNYIXQMBNPO-SDNWHVSQSA-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