General Information of the Compound
| Compound ID |
CP0464430
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| Compound Name |
(2R,3R,4S,5R)-2-[6-amino-8-[[3-(4-hydroxybutoxy)-4-phenylphenyl]methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
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| Structure |
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| Formula |
C27H32N6O6
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| Molecular Weight |
536.589
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| Canonical SMILES |
Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc(c(OCCCCO)c3)-c3ccccc3)nc12
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| InChI |
InChI=1S/C27H32N6O6/c28-24-21-25(31-15-30-24)33(26-23(37)22(36)20(14-35)39-26)27(32-21)29-13-16-8-9-18(17-6-2-1-3-7-17)19(12-16)38-11-5-4-10-34/h1-3,6-9,12,15,20,22-23,26,34-37H,4-5,10-11,13-14H2,(H,29,32)(H2,28,30,31)/t20-,22-,23-,26-/m1/s1
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| InChIKey |
XMZYIJLWLZIWIH-HUBRGWSESA-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