General Information of the Compound
| Compound ID |
CP0457079
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-Isobutyl-1-(3-methyl-butyl)-3,7-dihydro-purine-2,6-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H22N4O2
|
||||||||||||||||||
| Molecular Weight |
278.356
|
||||||||||||||||||
| Canonical SMILES |
CC(C)CCn1c(=O)n(CC(C)C)c2nc[nH]c2c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H22N4O2/c1-9(2)5-6-17-13(19)11-12(16-8-15-11)18(14(17)20)7-10(3)4/h8-10H,5-7H2,1-4H3,(H,15,16)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HRWQHFZQHIUCCC-UHFFFAOYSA-N
|
||||||||||||||||||
| CAS |
63908-26-9
|
||||||||||||||||||
| 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