General Information of the Compound
| Compound ID |
CP0461014
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| Compound Name |
methyl 5-[[4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl]amino]-5-oxopentanoate
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| Structure |
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| Formula |
C23H30N2O4
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| Molecular Weight |
398.503
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| Canonical SMILES |
CCc1c(C)[nH]c(=O)c(NC(=O)CCCC(=O)OC)c1Cc1cc(C)cc(C)c1
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| InChI |
InChI=1S/C23H30N2O4/c1-6-18-16(4)24-23(28)22(25-20(26)8-7-9-21(27)29-5)19(18)13-17-11-14(2)10-15(3)12-17/h10-12H,6-9,13H2,1-5H3,(H,24,28)(H,25,26)
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| InChIKey |
VPUGTSNKBRDYCG-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