General Information of the Compound
| Compound ID |
CP0488913
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| Compound Name |
N-[3-[1-[[(3S)-2-hydroxy-5-oxooxolan-3-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 |
C33H35N5O7
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| Molecular Weight |
613.671
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| Canonical SMILES |
CCC(C(=O)N[C@H]1CC(=O)OC1O)n1c(=O)c(NC(=O)c2ccc(Nc3ccc4ccccc4c3)cc2C)cn(C(C)C)c1=O
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| InChI |
InChI=1S/C33H35N5O7/c1-5-27(30(41)35-25-16-28(39)45-32(25)43)38-31(42)26(17-37(18(2)3)33(38)44)36-29(40)24-13-12-22(14-19(24)4)34-23-11-10-20-8-6-7-9-21(20)15-23/h6-15,17-18,25,27,32,34,43H,5,16H2,1-4H3,(H,35,41)(H,36,40)/t25-,27?,32?/m0/s1
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| InChIKey |
GLTHVTJYQWRMDH-LPUUTUDMSA-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