General Information of the Compound
| Compound ID |
CP0527349
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-methoxy-3-phenylmethoxyphenyl)-4,4-dimethyl-1H-pyrazol-5-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H20N2O3
|
||||||||||||||||||
| Molecular Weight |
324.38
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1OCc1ccccc1)C1=NNC(=O)C1(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H20N2O3/c1-19(2)17(20-21-18(19)22)14-9-10-15(23-3)16(11-14)24-12-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3,(H,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MXUQUKFZLPYADF-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