General Information of the Compound
| Compound ID |
CP0420048
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| Compound Name |
(2R,3R,4S,5R)-2-[6-amino-8-[[3-(3-hydroxypropoxy)-4-phenylphenyl]methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
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| Structure |
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| Formula |
C26H30N6O6
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| Molecular Weight |
522.562
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| Canonical SMILES |
Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc(c(OCCCO)c3)-c3ccccc3)nc12
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| InChI |
InChI=1S/C26H30N6O6/c27-23-20-24(30-14-29-23)32(25-22(36)21(35)19(13-34)38-25)26(31-20)28-12-15-7-8-17(16-5-2-1-3-6-16)18(11-15)37-10-4-9-33/h1-3,5-8,11,14,19,21-22,25,33-36H,4,9-10,12-13H2,(H,28,31)(H2,27,29,30)/t19-,21-,22-,25-/m1/s1
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| InChIKey |
VTLIALLBFGPVSI-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
Protein ID: PT05357, Sodium/nucleoside cotransporter 2
Protein ID: PT06620, Sodium/nucleoside cotransporter 2