General Information of the Compound
| Compound ID |
CP0394749
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| Compound Name |
N-[3-[1-[[(4R)-2-hydroxy-6-oxooxan-4-yl]amino]-1-oxobutan-2-yl]-2,4-dioxo-1-propan-2-ylpyrimidin-5-yl]-2-methyl-4-(naphthalen-2-ylamino)benzamide
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| Structure |
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| Formula |
C34H37N5O7
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| Molecular Weight |
627.698
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| Canonical SMILES |
CCC(C(=O)N[C@@H]1CC(O)OC(=O)C1)n1c(=O)c(NC(=O)c2ccc(Nc3ccc4ccccc4c3)cc2C)cn(C(C)C)c1=O
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| InChI |
InChI=1S/C34H37N5O7/c1-5-28(32(43)36-25-16-29(40)46-30(41)17-25)39-33(44)27(18-38(19(2)3)34(39)45)37-31(42)26-13-12-23(14-20(26)4)35-24-11-10-21-8-6-7-9-22(21)15-24/h6-15,18-19,25,28-29,35,40H,5,16-17H2,1-4H3,(H,36,43)(H,37,42)/t25-,28?,29?/m1/s1
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| InChIKey |
MVGWMLIGPTZNGV-DYHAMKINSA-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