General Information of the Compound
| Compound ID |
CP0456843
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| Compound Name |
[(2R,3R,4R,5S)-2-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-4,5-diphosphonooxyoxan-2-yl]methyl]-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
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| Structure |
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| Formula |
C17H28N5O17P3
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| Molecular Weight |
667.351
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| Canonical SMILES |
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](C[C@H]2O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]2O)[C@H]1OP(O)(O)=O
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| InChI |
InChI=1S/C17H28N5O17P3/c18-15-10-16(20-4-19-15)22(5-21-10)17-12(37-40(26,27)28)6(8(2-23)36-17)1-7-11(25)14(39-42(32,33)34)13(9(3-24)35-7)38-41(29,30)31/h4-9,11-14,17,23-25H,1-3H2,(H2,18,19,20)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34)/t6-,7-,8-,9-,11+,12-,13-,14-,17-/m1/s1
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| InChIKey |
AHBGPGQCHBLGKD-SHRKUEKSSA-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