General Information of the Compound
| Compound ID |
CP0946977
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-((3-methyloxetan-3-yl)methoxy)-2-(pyridin-2-yl)-6-((2,3,4-trifluorophenoxy)methyl)pyrimidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H18F3N3O3
|
||||||||||||||||||
| Molecular Weight |
417.387
|
||||||||||||||||||
| Canonical SMILES |
CC1(COc2cc(COc3ccc(F)c(F)c3F)nc(-c3ccccn3)n2)COC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H18F3N3O3/c1-21(10-28-11-21)12-30-17-8-13(26-20(27-17)15-4-2-3-7-25-15)9-29-16-6-5-14(22)18(23)19(16)24/h2-8H,9-12H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
IIGBXHDBLGINSK-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