General Information of the Compound
| Compound ID |
CP0499299
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| Compound Name |
[(2R,3R,4S,5S,6S)-6-(2-aminoethylcarbamoyl)-3,4,5-trihydroxyoxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
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| Structure |
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| Formula |
C17H28N4O17P2
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| Molecular Weight |
622.37
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| Canonical SMILES |
NCCNC(=O)[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H](O)[C@@H]1O
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| InChI |
InChI=1S/C17H28N4O17P2/c18-2-3-19-14(28)13-10(25)9(24)12(27)16(36-13)37-40(32,33)38-39(30,31)34-5-6-8(23)11(26)15(35-6)21-4-1-7(22)20-17(21)29/h1,4,6,8-13,15-16,23-27H,2-3,5,18H2,(H,19,28)(H,30,31)(H,32,33)(H,20,22,29)/t6-,8-,9+,10+,11-,12-,13+,15-,16-/m1/s1
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| InChIKey |
NTUHCGAEPLZOPI-PKIMDUCDSA-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