General Information of the Compound
| Compound ID |
CP0390310
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| Compound Name |
tert-butyl N-[2-[[(2S,3S,4S,5R,6R)-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4,5-trihydroxyoxane-2-carbonyl]amino]ethyl]carbamate
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| Structure |
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| Formula |
C22H36N4O19P2
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| Molecular Weight |
722.487
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| Canonical SMILES |
CC(C)(C)OC(=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/C22H36N4O19P2/c1-22(2,3)43-21(35)24-6-5-23-17(33)16-13(30)12(29)15(32)19(42-16)44-47(38,39)45-46(36,37)40-8-9-11(28)14(31)18(41-9)26-7-4-10(27)25-20(26)34/h4,7,9,11-16,18-19,28-32H,5-6,8H2,1-3H3,(H,23,33)(H,24,35)(H,36,37)(H,38,39)(H,25,27,34)/t9-,11-,12+,13+,14-,15-,16+,18-,19-/m1/s1
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| InChIKey |
DUQNIUZYFQKFRA-HSIGMSJXSA-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