General Information of the Compound
| Compound ID |
CP0520979
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| Compound Name |
4-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]-N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide
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| Structure |
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| Formula |
C22H28N6O9
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| Molecular Weight |
520.499
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| Canonical SMILES |
COCCOc1nc(N)c2nc(O)n(Cc3ccc(cc3)C(=O)N[C@H]3C(O)O[C@H](CO)[C@H](O)[C@@H]3O)c2n1
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| InChI |
InChI=1S/C22H28N6O9/c1-35-6-7-36-21-26-17(23)14-18(27-21)28(22(34)25-14)8-10-2-4-11(5-3-10)19(32)24-13-16(31)15(30)12(9-29)37-20(13)33/h2-5,12-13,15-16,20,29-31,33H,6-9H2,1H3,(H,24,32)(H,25,34)(H2,23,26,27)/t12-,13-,15+,16-,20?/m1/s1
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| InChIKey |
OOAZSJXRAFBSOK-UOPNCYNZSA-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