General Information of the Compound
| Compound ID |
CP0541808
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| Compound Name |
(2S,3S,4S,5R,6R)-6-[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxo-2-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
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| Structure |
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| Formula |
C15H22N2O17P2S
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| Molecular Weight |
596.353
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| Canonical SMILES |
O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=S
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| InChI |
InChI=1S/C15H22N2O17P2S/c18-5-1-2-17(15(37)16-5)12-9(22)6(19)4(31-12)3-30-35(26,27)34-36(28,29)33-14-10(23)7(20)8(21)11(32-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,26,27)(H,28,29)(H,16,18,37)/t4-,6-,7+,8+,9-,10-,11+,12-,14-/m1/s1
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| InChIKey |
PIVUDWGDQYQGRN-LXQIFKJMSA-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