General Information of the Compound
| Compound ID |
CP0570814
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[5-tert-butyl-3-(4-ethoxy-3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C22H24F2N2O3
|
||||||||||||||||||
| Molecular Weight |
402.441
|
||||||||||||||||||
| Canonical SMILES |
CCOc1c(F)cc(cc1F)C1CC(=NN1c1ccc(cc1)C(O)=O)C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H24F2N2O3/c1-5-29-20-16(23)10-14(11-17(20)24)18-12-19(22(2,3)4)25-26(18)15-8-6-13(7-9-15)21(27)28/h6-11,18H,5,12H2,1-4H3,(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WWZUPIWOXXRGLS-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 | |||||||||||||||||||
| 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