General Information of the Compound
| Compound ID |
CP0940850
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-chloro-3-hexyl-1-methyl-3,7-dihydro-1H-purine-2,6-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H17ClN4O2
|
||||||||||||||||||
| Molecular Weight |
284.747
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCn1c(=O)n(C)c(=O)c2[nH]c(Cl)nc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H17ClN4O2/c1-3-4-5-6-7-17-9-8(14-11(13)15-9)10(18)16(2)12(17)19/h3-7H2,1-2H3,(H,14,15)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XCHDXWKQAAHOPS-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