General Information of the Compound
| Compound ID |
CP0377017
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| Compound Name |
(2R,3R,4S,5R)-2-[6-(2,3-dihydro-1,4-benzodioxin-3-ylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
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| Structure |
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| Formula |
C18H19N5O6
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| Molecular Weight |
401.379
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3COc4ccccc4O3)ncnc12
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| InChI |
InChI=1S/C18H19N5O6/c24-5-11-14(25)15(26)18(29-11)23-8-21-13-16(19-7-20-17(13)23)22-12-6-27-9-3-1-2-4-10(9)28-12/h1-4,7-8,11-12,14-15,18,24-26H,5-6H2,(H,19,20,22)/t11-,12?,14-,15-,18-/m1/s1
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| InChIKey |
MHTMWQIPHZOLKO-ULUUBLAKSA-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