General Information of the Compound
| Compound ID |
CP0341341
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| Compound Name |
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(8-nitro-3,4-dihydro-1H-isoquinolin-2-yl)purin-9-yl]oxolane-3,4-diol
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| Structure |
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| Formula |
C19H20N6O6
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| Molecular Weight |
428.405
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCc2cccc(c2C1)[N+]([O-])=O
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| InChI |
InChI=1S/C19H20N6O6/c26-7-13-15(27)16(28)19(31-13)24-9-22-14-17(20-8-21-18(14)24)23-5-4-10-2-1-3-12(25(29)30)11(10)6-23/h1-3,8-9,13,15-16,19,26-28H,4-7H2/t13-,15-,16-,19-/m1/s1
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| InChIKey |
HBCQJURRMVTBCJ-NVQRDWNXSA-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