General Information of the Compound
| Compound ID |
CP0529579
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| Compound Name |
10-[[4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl]amino]-10-oxodecanoic acid
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| Structure |
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| Formula |
C27H38N2O4
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| Molecular Weight |
454.611
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| Canonical SMILES |
CCc1c(C)[nH]c(=O)c(NC(=O)CCCCCCCCC(O)=O)c1Cc1cc(C)cc(C)c1
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| InChI |
InChI=1S/C27H38N2O4/c1-5-22-20(4)28-27(33)26(23(22)17-21-15-18(2)14-19(3)16-21)29-24(30)12-10-8-6-7-9-11-13-25(31)32/h14-16H,5-13,17H2,1-4H3,(H,28,33)(H,29,30)(H,31,32)
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| InChIKey |
OZHRODXTOKPOOU-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