General Information of the Compound
| Compound ID |
CP0493658
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| Compound Name |
(2R,3R,4S,5R)-2-[6-amino-8-[(4-pyridin-2-ylphenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
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| Structure |
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| Formula |
C22H23N7O4
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| Molecular Weight |
449.471
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| Canonical SMILES |
Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc(cc3)-c3ccccn3)nc12
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| InChI |
InChI=1S/C22H23N7O4/c23-19-16-20(27-11-26-19)29(21-18(32)17(31)15(10-30)33-21)22(28-16)25-9-12-4-6-13(7-5-12)14-3-1-2-8-24-14/h1-8,11,15,17-18,21,30-32H,9-10H2,(H,25,28)(H2,23,26,27)/t15-,17-,18-,21-/m1/s1
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| InChIKey |
JROHPLSDNYWYPR-QTQZEZTPSA-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