General Information of the Compound
| Compound ID |
CP0490054
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| Compound Name |
(2R,3R,4S,5R)-2-[6-(cyclopentylamino)-2-nitropurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
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| Structure |
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| Formula |
C15H20N6O6
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| Molecular Weight |
380.361
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(nc12)[N+]([O-])=O
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| InChI |
InChI=1S/C15H20N6O6/c22-5-8-10(23)11(24)14(27-8)20-6-16-9-12(17-7-3-1-2-4-7)18-15(21(25)26)19-13(9)20/h6-8,10-11,14,22-24H,1-5H2,(H,17,18,19)/t8-,10-,11-,14-/m1/s1
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| InChIKey |
WMIMWDUVMGXQMD-IDTAVKCVSA-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