General Information of the Compound
| Compound ID |
CP0572689
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| Compound Name |
(2R,3R,4S,5R)-2-[6-amino-8-[(4-phenyl-2-propan-2-yloxyphenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
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| Structure |
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| Formula |
C26H30N6O5
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| Molecular Weight |
506.563
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| Canonical SMILES |
CC(C)Oc1cc(ccc1CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1ccccc1
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| InChI |
InChI=1S/C26H30N6O5/c1-14(2)36-18-10-16(15-6-4-3-5-7-15)8-9-17(18)11-28-26-31-20-23(27)29-13-30-24(20)32(26)25-22(35)21(34)19(12-33)37-25/h3-10,13-14,19,21-22,25,33-35H,11-12H2,1-2H3,(H,28,31)(H2,27,29,30)/t19-,21-,22-,25-/m1/s1
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| InChIKey |
QZYXFEIVPDFTGR-PTGPVQHPSA-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