General Information of the Compound
| Compound ID |
CP0432911
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| Compound Name |
[(2R,3R,4R,5R,6R)-2-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)-5-phosphonooxyoxan-4-yl] dihydrogen phosphate
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| Structure |
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| Formula |
C16H25N5O15P2
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| Molecular Weight |
589.344
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| Canonical SMILES |
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]2O)[C@H]1O
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| InChI |
InChI=1S/C16H25N5O15P2/c17-13-7-14(19-3-18-13)21(4-20-7)15-8(24)10(5(1-22)32-15)34-16-9(25)12(36-38(29,30)31)11(6(2-23)33-16)35-37(26,27)28/h3-6,8-12,15-16,22-25H,1-2H2,(H2,17,18,19)(H2,26,27,28)(H2,29,30,31)/t5-,6-,8-,9-,10-,11-,12-,15-,16-/m1/s1
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| InChIKey |
XPWJPQDFIHMNMA-MZQFDOALSA-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