General Information of the Compound
| Compound ID |
CP0420049
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,3R,4S,5R)-2-[6-amino-8-[(3-methoxy-4-phenylphenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H26N6O5
|
||||||||||||||||||
| Molecular Weight |
478.509
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(CNc2nc3c(N)ncnc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26N6O5/c1-34-16-9-13(7-8-15(16)14-5-3-2-4-6-14)10-26-24-29-18-21(25)27-12-28-22(18)30(24)23-20(33)19(32)17(11-31)35-23/h2-9,12,17,19-20,23,31-33H,10-11H2,1H3,(H,26,29)(H2,25,27,28)/t17-,19-,20-,23-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HTHVSNVHGMBJSO-ZDXOVATRSA-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