General Information of the Compound
| Compound ID |
CP0277824
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| Compound Name |
(3R,4S,5R)-2-[6-[2-(4-amino-3-iodophenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
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| Structure |
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| Formula |
C18H21IN6O4
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| Molecular Weight |
512.308
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| Canonical SMILES |
Nc1ccc(CCNc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1I
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| InChI |
InChI=1S/C18H21IN6O4/c19-10-5-9(1-2-11(10)20)3-4-21-16-13-17(23-7-22-16)25(8-24-13)18-15(28)14(27)12(6-26)29-18/h1-2,5,7-8,12,14-15,18,26-28H,3-4,6,20H2,(H,21,22,23)/t12-,14-,15-,18?/m1/s1
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| InChIKey |
MPIIQNVLVJWSSQ-PZGKNFOESA-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