General Information of the Compound
| Compound ID |
CP0393583
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| Compound Name |
tert-butyl N-[10-[[4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl]amino]-10-oxodecyl]carbamate
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| Structure |
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| Formula |
C32H49N3O4
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| Molecular Weight |
539.761
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| Canonical SMILES |
CCc1c(C)[nH]c(=O)c(NC(=O)CCCCCCCCCNC(=O)OC(C)(C)C)c1Cc1cc(C)cc(C)c1
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| InChI |
InChI=1S/C32H49N3O4/c1-8-26-24(4)34-30(37)29(27(26)21-25-19-22(2)18-23(3)20-25)35-28(36)16-14-12-10-9-11-13-15-17-33-31(38)39-32(5,6)7/h18-20H,8-17,21H2,1-7H3,(H,33,38)(H,34,37)(H,35,36)
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| InChIKey |
FFQBLECKQNNFOG-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