General Information of the Compound
| Compound ID |
CP0422437
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| Compound Name |
[dichloro-[[2-[(2,4-dioxopyrimidin-1-yl)methoxy]ethoxy-sulfanylphosphinothioyl]oxy-hydroxyphosphoryl]methyl]phosphonic acid
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| Structure |
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| Formula |
C8H13Cl2N2O10P3S2
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| Molecular Weight |
525.158
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| Canonical SMILES |
OP(O)(=O)C(Cl)(Cl)P(O)(=O)OP(S)(=S)OCCOCn1ccc(=O)[nH]c1=O
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| InChI |
InChI=1S/C8H13Cl2N2O10P3S2/c9-8(10,23(15,16)17)24(18,19)22-25(26,27)21-4-3-20-5-12-2-1-6(13)11-7(12)14/h1-2H,3-5H2,(H,18,19)(H,26,27)(H,11,13,14)(H2,15,16,17)
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| InChIKey |
QLXXYVBLECNMRK-UHFFFAOYSA-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