General Information of the Compound
| Compound ID |
CP0111100
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| Compound Name |
N-[3-[1-[[(3S)-2-hydroxy-5-oxooxolan-3-yl]amino]-1-oxopropan-2-yl]-1-methyl-2,4-dioxopyrimidin-5-yl]-4-(quinoxalin-2-ylamino)benzamide
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| Structure |
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| Formula |
C27H25N7O7
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| Molecular Weight |
559.539
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| Canonical SMILES |
CC(C(=O)N[C@H]1CC(=O)OC1O)n1c(=O)c(NC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)cn(C)c1=O
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| InChI |
InChI=1S/C27H25N7O7/c1-14(23(36)31-19-11-22(35)41-26(19)39)34-25(38)20(13-33(2)27(34)40)32-24(37)15-7-9-16(10-8-15)29-21-12-28-17-5-3-4-6-18(17)30-21/h3-10,12-14,19,26,39H,11H2,1-2H3,(H,29,30)(H,31,36)(H,32,37)/t14?,19-,26?/m0/s1
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| InChIKey |
VOVIDOXRASTPAZ-DNUCUXLKSA-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