General Information of the Compound
| Compound ID |
CP0464080
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| Compound Name |
tert-butyl N-[2-[[2-[[4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
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| Structure |
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| Formula |
C26H36N4O5
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| Molecular Weight |
484.597
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| Canonical SMILES |
CCc1c(C)[nH]c(=O)c(NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)c1Cc1cc(C)cc(C)c1
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| InChI |
InChI=1S/C26H36N4O5/c1-8-19-17(4)29-24(33)23(20(19)12-18-10-15(2)9-16(3)11-18)30-22(32)14-27-21(31)13-28-25(34)35-26(5,6)7/h9-11H,8,12-14H2,1-7H3,(H,27,31)(H,28,34)(H,29,33)(H,30,32)
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| InChIKey |
DKXKLYXDGRCNKK-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