General Information of the Compound
| Compound ID |
CP0375806
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| Compound Name |
(2R,3R,4S,5R)-2-[6-(1-adamantylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
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| Structure |
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| Formula |
C20H27N5O4
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| Molecular Weight |
401.467
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC34CC5CC(CC(C5)C3)C4)ncnc12
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| InChI |
InChI=1S/C20H27N5O4/c26-7-13-15(27)16(28)19(29-13)25-9-23-14-17(21-8-22-18(14)25)24-20-4-10-1-11(5-20)3-12(2-10)6-20/h8-13,15-16,19,26-28H,1-7H2,(H,21,22,24)/t10?,11?,12?,13-,15-,16-,19-,20?/m1/s1
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| InChIKey |
MDGMBQHQTSWNDG-CXXVZFNBSA-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