General Information of the Compound
| Compound ID |
CP0427215
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| Compound Name |
[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylsulfanyl-2-oxo-1,6-dihydropyrimidin-3-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate
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| Structure |
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| Formula |
C16H28N2O16P2S
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| Molecular Weight |
598.413
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| Canonical SMILES |
CSC1NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C16H28N2O16P2S/c1-37-8-2-3-18(16(25)17-8)14-12(23)10(21)7(31-14)5-30-35(26,27)34-36(28,29)33-15-13(24)11(22)9(20)6(4-19)32-15/h2-3,6-15,19-24H,4-5H2,1H3,(H,17,25)(H,26,27)(H,28,29)/t6-,7-,8?,9-,10-,11+,12-,13-,14-,15-/m1/s1
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| InChIKey |
AHJZJKHBHBHIPP-DKBMREHESA-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