General Information of the Compound
| Compound ID |
CP0554439
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| Compound Name |
[[(1S,2R,3R,4S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-2-bicyclo[3.1.0]hexanyl]methoxy-hydroxyphosphoryl]methylphosphonic acid
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| Structure |
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| Formula |
C12H18N2O10P2
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| Molecular Weight |
412.228
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| Canonical SMILES |
O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)[C@@H]2C[C@]2([C@@H]1O)n1ccc(=O)[nH]c1=O
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| InChI |
InChI=1S/C12H18N2O10P2/c15-8-1-2-14(11(18)13-8)12-3-7(12)6(9(16)10(12)17)4-24-26(22,23)5-25(19,20)21/h1-2,6-7,9-10,16-17H,3-5H2,(H,22,23)(H,13,15,18)(H2,19,20,21)/t6-,7-,9+,10+,12-/m0/s1
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| InChIKey |
KWOZLGGORHMCCA-HIBIETOASA-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