General Information of the Compound
| Compound ID |
CP0957243
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| Compound Name |
3-(2,5-Dimethyl-3,6-dioxo-4-pyridin-3-ylmethyl-cyclohexa-1,4-dienyl)-propionic acid
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| Structure |
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| Formula |
C17H17NO4
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| Molecular Weight |
299.326
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| Canonical SMILES |
CC1=C(CCC(=O)O)C(=O)C(C)=C(Cc2cccnc2)C1=O
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| InChI |
InChI=1S/C17H17NO4/c1-10-13(5-6-15(19)20)16(21)11(2)14(17(10)22)8-12-4-3-7-18-9-12/h3-4,7,9H,5-6,8H2,1-2H3,(H,19,20)
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| InChIKey |
WCSPQWYYYYNWPC-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