General Information of the Compound
| Compound ID |
CP0401575
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| Compound Name |
[(2R,3R,4S,5S,6S)-6-(2-acetamidoethylcarbamoyl)-3,4,5-trihydroxyoxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
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| Structure |
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| Formula |
C19H30N4O18P2
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| Molecular Weight |
664.407
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| Canonical SMILES |
CC(=O)NCCNC(=O)[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H](O)[C@@H]1O
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| InChI |
InChI=1S/C19H30N4O18P2/c1-7(24)20-3-4-21-16(31)15-12(28)11(27)14(30)18(39-15)40-43(35,36)41-42(33,34)37-6-8-10(26)13(29)17(38-8)23-5-2-9(25)22-19(23)32/h2,5,8,10-15,17-18,26-30H,3-4,6H2,1H3,(H,20,24)(H,21,31)(H,33,34)(H,35,36)(H,22,25,32)/t8-,10-,11+,12+,13-,14-,15+,17-,18-/m1/s1
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| InChIKey |
NBAKQYQLJXECCT-XALVSQQVSA-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