General Information of the Compound
| Compound ID |
CP0539273
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| Compound Name |
4-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]-N-[(3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]benzamide
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| Structure |
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| Formula |
C28H38N6O14
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| Molecular Weight |
682.64
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| Canonical SMILES |
COCCOc1nc(N)c2nc(O)n(Cc3ccc(cc3)C(=O)NC3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)c2n1
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| InChI |
InChI=1S/C28H38N6O14/c1-44-6-7-45-27-31-22(29)15-23(32-27)34(28(43)30-15)8-11-2-4-12(5-3-11)24(42)33-25-19(40)18(39)21(14(10-36)46-25)48-26-20(41)17(38)16(37)13(9-35)47-26/h2-5,13-14,16-21,25-26,35-41H,6-10H2,1H3,(H,30,43)(H,33,42)(H2,29,31,32)/t13-,14-,16-,17+,18-,19-,20-,21-,25?,26-/m1/s1
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| InChIKey |
JBAXVFHKCUHXIC-YWVGKLDKSA-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