General Information of the Compound
| Compound ID |
CP0420093
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,3R,4S,5R)-2-[6-amino-8-[[3-(5-hydroxypentoxy)-4-phenylphenyl]methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H34N6O6
|
||||||||||||||||||
| Molecular Weight |
550.616
|
||||||||||||||||||
| Canonical SMILES |
Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc(c(OCCCCCO)c3)-c3ccccc3)nc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H34N6O6/c29-25-22-26(32-16-31-25)34(27-24(38)23(37)21(15-36)40-27)28(33-22)30-14-17-9-10-19(18-7-3-1-4-8-18)20(13-17)39-12-6-2-5-11-35/h1,3-4,7-10,13,16,21,23-24,27,35-38H,2,5-6,11-12,14-15H2,(H,30,33)(H2,29,31,32)/t21-,23-,24-,27-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YWOQFHOCHDNXBB-VBHAUSMQSA-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