General Information of the Compound
| Compound ID |
CP0422938
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| Compound Name |
10-[3-[[3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]propanoylamino]-N-[4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl]decanamide
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| Structure |
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| Formula |
C40H56N8O7
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| Molecular Weight |
760.937
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| Canonical SMILES |
CCc1c(C)[nH]c(=O)c(NC(=O)CCCCCCCCCNC(=O)CCOCC2OC(CC2N=[N+]=[N-])n2cc(C)c(=O)[nH]c2=O)c1Cc1cc(C)cc(C)c1
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| InChI |
InChI=1S/C40H56N8O7/c1-6-30-28(5)43-39(52)37(31(30)21-29-19-25(2)18-26(3)20-29)44-35(50)14-12-10-8-7-9-11-13-16-42-34(49)15-17-54-24-33-32(46-47-41)22-36(55-33)48-23-27(4)38(51)45-40(48)53/h18-20,23,32-33,36H,6-17,21-22,24H2,1-5H3,(H,42,49)(H,43,52)(H,44,50)(H,45,51,53)
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| InChIKey |
CMEDUPCRNSMFKE-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