General Information of the Compound
| Compound ID |
CP0534203
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(3-hydroxy-4-methoxyphenyl)-4,4-dimethyl-2-propan-2-ylpyrazol-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H20N2O3
|
||||||||||||||||||
| Molecular Weight |
276.336
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1O)C1=NN(C(C)C)C(=O)C1(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H20N2O3/c1-9(2)17-14(19)15(3,4)13(16-17)10-6-7-12(20-5)11(18)8-10/h6-9,18H,1-5H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
MQZWLOWOSDAWAW-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