General Information of the Compound
| Compound ID |
CP0420153
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,3R,4S,5R)-2-[6-amino-8-[[3-(2-hydroxyethoxy)-4-phenylphenyl]methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H28N6O6
|
||||||||||||||||||
| Molecular Weight |
508.535
|
||||||||||||||||||
| Canonical SMILES |
Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc(c(OCCO)c3)-c3ccccc3)nc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28N6O6/c26-22-19-23(29-13-28-22)31(24-21(35)20(34)18(12-33)37-24)25(30-19)27-11-14-6-7-16(15-4-2-1-3-5-15)17(10-14)36-9-8-32/h1-7,10,13,18,20-21,24,32-35H,8-9,11-12H2,(H,27,30)(H2,26,28,29)/t18-,20-,21-,24-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QEZUKUJCUSTRKG-UMCMBGNQSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT05357, Sodium/nucleoside cotransporter 2
Protein ID: PT06620, Sodium/nucleoside cotransporter 2