General Information of the Compound
| Compound ID |
CP0456457
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| Compound Name |
[(2R,3S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-2-bicyclo[3.1.0]hexanyl]methyl phosphono hydrogen phosphate
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| Structure |
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| Formula |
C11H16N2O10P2
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| Molecular Weight |
398.201
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| Canonical SMILES |
O[C@H]1C[C@]2(CC2[C@@H]1COP(O)(=O)OP(O)(O)=O)n1ccc(=O)[nH]c1=O
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| InChI |
InChI=1S/C11H16N2O10P2/c14-8-4-11(13-2-1-9(15)12-10(13)16)3-7(11)6(8)5-22-25(20,21)23-24(17,18)19/h1-2,6-8,14H,3-5H2,(H,20,21)(H,12,15,16)(H2,17,18,19)/t6-,7?,8-,11-/m0/s1
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| InChIKey |
IIZBHXPWZJWCIA-AUXMWNHNSA-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