General Information of the Compound
| Compound ID |
CP0521395
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| Compound Name |
((1R,2R,3S,4R,5S)-4-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2,3-dihydroxybicyclo[3.1.0]hexan-1-yl)methyl tetrahydrogen triphosphate
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| Structure |
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| Formula |
C11H17N2O14P3
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| Molecular Weight |
494.179
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| Canonical SMILES |
O[C@@H]1[C@H](O)[C@]2(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C[C@@H]2[C@H]1n1ccc(=O)[nH]c1=O
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| InChI |
InChI=1S/C11H17N2O14P3/c14-6-1-2-13(10(17)12-6)7-5-3-11(5,9(16)8(7)15)4-25-29(21,22)27-30(23,24)26-28(18,19)20/h1-2,5,7-9,15-16H,3-4H2,(H,21,22)(H,23,24)(H,12,14,17)(H2,18,19,20)/t5-,7-,8+,9+,11+/m1/s1
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| InChIKey |
XWFVJTIKQWQNID-KAACBLBJSA-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