General Information of the Compound
| Compound ID |
CP0494423
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| Compound Name |
((1S,2R,3R,4S,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxybicyclo[3.1.0]hexan-2-yl)methyl trihydrogen diphosphate
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| Structure |
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| Formula |
C11H16N2O11P2
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| Molecular Weight |
414.2
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| Canonical SMILES |
O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)[C@@H]2C[C@@]2([C@@H]1O)n1ccc(=O)[nH]c1=O
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| InChI |
InChI=1S/C11H16N2O11P2/c14-7-1-2-13(10(17)12-7)11-3-6(11)5(8(15)9(11)16)4-23-26(21,22)24-25(18,19)20/h1-2,5-6,8-9,15-16H,3-4H2,(H,21,22)(H,12,14,17)(H2,18,19,20)/t5-,6-,8+,9+,11+/m0/s1
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| InChIKey |
JHFKAICFACMATE-IXERTSGWSA-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