General Information of the Compound
| Compound ID |
CP0443179
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(3,3-dimethylbutyl)-1,2-dihydropyridazine-3,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C10H16N2O2
|
||||||||||||||||||
| Molecular Weight |
196.25
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)CCc1cc(O)c(=O)[nH]n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C10H16N2O2/c1-10(2,3)5-4-7-6-8(13)9(14)12-11-7/h6H,4-5H2,1-3H3,(H,11,13)(H,12,14)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KBRQBXFPFHNKIU-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