General Information of the Compound
| Compound ID |
CP0420088
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| Compound Name |
2-[5-[[[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-8-yl]amino]methyl]-2-phenylphenoxy]acetamide
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| Structure |
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| Formula |
C25H27N7O6
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| Molecular Weight |
521.534
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| Canonical SMILES |
NC(=O)COc1cc(CNc2nc3c(N)ncnc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1-c1ccccc1
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| InChI |
InChI=1S/C25H27N7O6/c26-18(34)11-37-16-8-13(6-7-15(16)14-4-2-1-3-5-14)9-28-25-31-19-22(27)29-12-30-23(19)32(25)24-21(36)20(35)17(10-33)38-24/h1-8,12,17,20-21,24,33,35-36H,9-11H2,(H2,26,34)(H,28,31)(H2,27,29,30)/t17-,20-,21-,24-/m1/s1
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| InChIKey |
XLLWHNLRPAWRFN-FGSUIDRYSA-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
Protein ID: PT05357, Sodium/nucleoside cotransporter 2
Protein ID: PT06620, Sodium/nucleoside cotransporter 2