General Information of the Compound
| Compound ID |
CP0452134
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| Compound Name |
(2R,3R,4S,5S)-2-(6-(2,2-diphenylethylamino)-2-(2-(1-ethyl-1H-imidazol-4-yl)ethylamino)-9H-purin-9-yl)-5-(4-ethyl-1H-pyrazol-1-yl)tetrahydrofuran-3,4-diol
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| Structure |
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| Formula |
C36H42N10O2
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| Molecular Weight |
646.8
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| Canonical SMILES |
CCc1cnn(c1)[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCc3cn(CC)cn3)nc12
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| InChI |
InChI=1S/C36H42N10O2/c1-3-24-18-41-46(20-24)30-17-29(32(47)33(30)48)45-23-40-31-34(38-19-28(25-11-7-5-8-12-25)26-13-9-6-10-14-26)42-36(43-35(31)45)37-16-15-27-21-44(4-2)22-39-27/h5-14,18,20-23,28-30,32-33,47-48H,3-4,15-17,19H2,1-2H3,(H2,37,38,42,43)/t29-,30+,32+,33-/m1/s1
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| InChIKey |
OAXONXRZJFKHCS-GJPTZXPMSA-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