General Information of the Compound
| Compound ID |
CP0402946
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,3R,4S,5R)-2-[6-amino-8-[(4-phenyl-3-propoxyphenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H30N6O5
|
||||||||||||||||||
| Molecular Weight |
506.563
|
||||||||||||||||||
| Canonical SMILES |
CCCOc1cc(CNc2nc3c(N)ncnc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H30N6O5/c1-2-10-36-18-11-15(8-9-17(18)16-6-4-3-5-7-16)12-28-26-31-20-23(27)29-14-30-24(20)32(26)25-22(35)21(34)19(13-33)37-25/h3-9,11,14,19,21-22,25,33-35H,2,10,12-13H2,1H3,(H,28,31)(H2,27,29,30)/t19-,21-,22-,25-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CIAZIQZDFDQJDY-PTGPVQHPSA-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