General Information of the Compound
| Compound ID |
CP0429993
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| Compound Name |
(2R,3R,4S,5S)-2-(hydroxymethyl)-5-[6-[[(2S,4R)-3-oxatricyclo[3.2.1.02,4]octan-6-yl]amino]purin-9-yl]oxolane-3,4-diol
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| Structure |
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| Formula |
C17H21N5O5
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| Molecular Weight |
375.385
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| Canonical SMILES |
OC[C@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(NC3CC4CC3[C@H]3O[C@@H]43)ncnc12
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| InChI |
InChI=1S/C17H21N5O5/c23-3-9-11(24)12(25)17(26-9)22-5-20-10-15(18-4-19-16(10)22)21-8-2-6-1-7(8)14-13(6)27-14/h4-9,11-14,17,23-25H,1-3H2,(H,18,19,21)/t6?,7?,8?,9-,11+,12+,13+,14-,17+/m1/s1
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| InChIKey |
NONUAFMNQOSNMV-LMMCOWNLSA-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