General Information of the Compound
| Compound ID |
CP0453877
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[4-methoxy-3-(naphthalen-1-ylmethoxy)phenyl]-4,4-dimethyl-2-propan-2-ylpyrazol-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H28N2O3
|
||||||||||||||||||
| Molecular Weight |
416.521
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1OCc1cccc2ccccc12)C1=NN(C(C)C)C(=O)C1(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H28N2O3/c1-17(2)28-25(29)26(3,4)24(27-28)19-13-14-22(30-5)23(15-19)31-16-20-11-8-10-18-9-6-7-12-21(18)20/h6-15,17H,16H2,1-5H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
XVWDFIAUUSDHTN-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