General Information of the Compound
| Compound ID |
CP0488654
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(4-methoxy-3-phenylmethoxyphenyl)-2,4,4-trimethylpyrazol-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H22N2O3
|
||||||||||||||||||
| Molecular Weight |
338.407
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1OCc1ccccc1)C1=NN(C)C(=O)C1(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H22N2O3/c1-20(2)18(21-22(3)19(20)23)15-10-11-16(24-4)17(12-15)25-13-14-8-6-5-7-9-14/h5-12H,13H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
MVRJRQHDILNPDQ-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