General Information of the Compound
| Compound ID |
CP0448551
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-benzyl-1-butyl-7-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-2,6-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H26N4O6
|
||||||||||||||||||
| Molecular Weight |
430.461
|
||||||||||||||||||
| Canonical SMILES |
CCCCn1c(=O)n(Cc2ccccc2)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H26N4O6/c1-2-3-9-23-19(29)15-18(24(21(23)30)10-13-7-5-4-6-8-13)22-12-25(15)20-17(28)16(27)14(11-26)31-20/h4-8,12,14,16-17,20,26-28H,2-3,9-11H2,1H3/t14-,16-,17-,20?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XOWSUZTZJZESHK-FIALEDGQSA-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