General Information of the Compound
| Compound ID |
CP0446596
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[3-(difluoromethoxy)-4-fluorophenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H11F3N4O
|
||||||||||||||||||
| Molecular Weight |
308.263
|
||||||||||||||||||
| Canonical SMILES |
FC(F)Oc1cc(ccc1F)-c1cnn(Cc2cc[nH]n2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H11F3N4O/c15-12-2-1-9(5-13(12)22-14(16)17)10-6-19-21(7-10)8-11-3-4-18-20-11/h1-7,14H,8H2,(H,18,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LHMLJRCNGQZNHL-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