General Information of the Compound
| Compound ID |
CP0356957
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[[4-[1-cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxypyridin-2-yl]amino]pyridin-2-yl]-1,1,1-trifluoropropan-2-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H22F5N5O2
|
||||||||||||||||||
| Molecular Weight |
495.452
|
||||||||||||||||||
| Canonical SMILES |
CC(O)(c1cc(Nc2cc(Oc3cn(nc3C3CC(F)(F)C3)C3CC3)ccn2)ccn1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H22F5N5O2/c1-21(34,23(26,27)28)18-8-14(4-6-29-18)31-19-9-16(5-7-30-19)35-17-12-33(15-2-3-15)32-20(17)13-10-22(24,25)11-13/h4-9,12-13,15,34H,2-3,10-11H2,1H3,(H,29,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FSCOHTFMAHASOB-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