General Information of the Compound
| Compound ID |
CP0499802
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-amino-2-(butylamino)-9-[[6-[4-(dimethylamino)butoxy]pyridin-3-yl]methyl]-7H-purin-8-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H32N8O2
|
||||||||||||||||||
| Molecular Weight |
428.541
|
||||||||||||||||||
| Canonical SMILES |
CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(OCCCCN(C)C)nc3)c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H32N8O2/c1-4-5-10-23-20-26-18(22)17-19(27-20)29(21(30)25-17)14-15-8-9-16(24-13-15)31-12-7-6-11-28(2)3/h8-9,13H,4-7,10-12,14H2,1-3H3,(H,25,30)(H3,22,23,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ACVUGGBXFAOEDQ-UHFFFAOYSA-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