General Information of the Compound
| Compound ID |
CP0847587
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| Compound Name |
3-{3-[Pyridin-3-yl-(2,4,5-trimethyl-3,6-dioxo-cyclohexa-1,4-dienyl)-methyl]-phenyl}-propionic acid
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| Structure |
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| Formula |
C24H23NO4
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| Molecular Weight |
389.451
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| Canonical SMILES |
CC1=C(C)C(=O)C(C(c2cccnc2)c2cccc(CCC(=O)O)c2)=C(C)C1=O
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| InChI |
InChI=1S/C24H23NO4/c1-14-15(2)24(29)21(16(3)23(14)28)22(19-8-5-11-25-13-19)18-7-4-6-17(12-18)9-10-20(26)27/h4-8,11-13,22H,9-10H2,1-3H3,(H,26,27)
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| InChIKey |
QPZRDAAPPWGBHG-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