General Information of the Compound
| Compound ID |
CP0943582
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| Compound Name |
6-Pyridin-3-yl-6-(2,4,5-trimethyl-3,6-dioxo-cyclohexa-1,4-dienyl)-hexanoic acid
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| Structure |
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| Formula |
C20H23NO4
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| Molecular Weight |
341.407
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| Canonical SMILES |
CC1=C(C)C(=O)C(C(CCCCC(=O)O)c2cccnc2)=C(C)C1=O
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| InChI |
InChI=1S/C20H23NO4/c1-12-13(2)20(25)18(14(3)19(12)24)16(8-4-5-9-17(22)23)15-7-6-10-21-11-15/h6-7,10-11,16H,4-5,8-9H2,1-3H3,(H,22,23)
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| InChIKey |
RGTJIZBZGKZANC-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