General Information of the Compound
| Compound ID |
CP0475468
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3-cyclohexyl-3,4-dihydropyrazol-2-yl)-2,2-dimethylpropan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H24N2O
|
||||||||||||||||||
| Molecular Weight |
236.359
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)C(=O)N1N=CCC1C1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H24N2O/c1-14(2,3)13(17)16-12(9-10-15-16)11-7-5-4-6-8-11/h10-12H,4-9H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KWIYLKZUPRGSIC-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