General Information of the Compound
| Compound ID |
CP0554929
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| Compound Name |
(2S,3S,4R)-3,4-dihydroxy-N-methyl-5-[6-[(3-nitrophenyl)methylamino]purin-9-yl]oxolane-2-carboxamide
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| Structure |
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| Formula |
C18H19N7O6
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| Molecular Weight |
429.393
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| Canonical SMILES |
CNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(c3)[N+]([O-])=O)ncnc12
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| InChI |
InChI=1S/C18H19N7O6/c1-19-17(28)14-12(26)13(27)18(31-14)24-8-23-11-15(21-7-22-16(11)24)20-6-9-3-2-4-10(5-9)25(29)30/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,19,28)(H,20,21,22)/t12-,13+,14-,18?/m0/s1
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| InChIKey |
VEZWNXIFXWOTKK-CDJKEZFESA-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