General Information of the Compound
| Compound ID |
CP0847419
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-((3-tert-Butylphenoxy)methyl)-1H-pyrazol-3(2H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H18N2O2
|
||||||||||||||||||
| Molecular Weight |
246.31
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1cccc(OCc2cc(=O)[nH][nH]2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H18N2O2/c1-14(2,3)10-5-4-6-12(7-10)18-9-11-8-13(17)16-15-11/h4-8H,9H2,1-3H3,(H2,15,16,17)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UVLPKOYPRVVZRK-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