General Information of the Compound
| Compound ID |
CP0427145
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(3-fluoro-5-methoxy)phenoxymethyl]-1-(4-methanesulfonylphenyl)-5-phenyl-1H-pyrazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H21FN2O4S
|
||||||||||||||||||
| Molecular Weight |
452.507
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(F)cc(OCc2cc(-c3ccccc3)n(n2)-c2ccc(cc2)S(C)(=O)=O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H21FN2O4S/c1-30-21-12-18(25)13-22(15-21)31-16-19-14-24(17-6-4-3-5-7-17)27(26-19)20-8-10-23(11-9-20)32(2,28)29/h3-15H,16H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VZFWOGVRKBWPKJ-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
Protein ID: PT00940, Prostaglandin G/H synthase 1
Protein ID: PT00901, Prostaglandin G/H synthase 2