General Information of the Compound
| Compound ID |
CP0920109
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3-fluoro-5-(trifluoromethyl)phenyl)(5-(2-hydroxyphenyl)-3-(pyridin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H15F4N3O2
|
||||||||||||||||||
| Molecular Weight |
429.373
|
||||||||||||||||||
| Canonical SMILES |
O=C(c1cc(F)cc(C(F)(F)F)c1)N1N=C(c2cccnc2)CC1c1ccccc1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H15F4N3O2/c23-16-9-14(8-15(10-16)22(24,25)26)21(31)29-19(17-5-1-2-6-20(17)30)11-18(28-29)13-4-3-7-27-12-13/h1-10,12,19,30H,11H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
DXTJGSQKTCJUPA-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