General Information of the Compound
| Compound ID |
CP0446401
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| Compound Name |
N-[3-[2-[[(3S)-2-hydroxy-5-oxooxolan-3-yl]amino]-2-oxoethyl]-2,4-dioxo-1-propan-2-ylpyrimidin-5-yl]-4-(quinoxalin-2-ylamino)benzamide
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| Structure |
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| Formula |
C28H27N7O7
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| Molecular Weight |
573.566
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| Canonical SMILES |
CC(C)n1cc(NC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)c(=O)n(CC(=O)N[C@H]2CC(=O)OC2O)c1=O
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| InChI |
InChI=1S/C28H27N7O7/c1-15(2)34-13-21(26(39)35(28(34)41)14-23(36)32-20-11-24(37)42-27(20)40)33-25(38)16-7-9-17(10-8-16)30-22-12-29-18-5-3-4-6-19(18)31-22/h3-10,12-13,15,20,27,40H,11,14H2,1-2H3,(H,30,31)(H,32,36)(H,33,38)/t20-,27?/m0/s1
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| InChIKey |
LXMCPPHIXBMNLI-SVQMELKDSA-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