General Information of the Compound
| Compound ID |
CP0400261
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-ethylphenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H22N2O
|
||||||||||||||||||
| Molecular Weight |
282.387
|
||||||||||||||||||
| Canonical SMILES |
CCc1ccccc1-n1nc(C)c2c1CC(C)(C)CC2=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H22N2O/c1-5-13-8-6-7-9-14(13)20-15-10-18(3,4)11-16(21)17(15)12(2)19-20/h6-9H,5,10-11H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JIAJBINLEDNMJU-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