General Information of the Compound
| Compound ID |
CP0673937
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-methyl-1-(2-(pyridin-2-yl)-6-((2,3,4-trifluorophenoxy)methyl)pyrimidin-4-yl)azetidine-3-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H16F3N5O
|
||||||||||||||||||
| Molecular Weight |
411.387
|
||||||||||||||||||
| Canonical SMILES |
CC1(C#N)CN(c2cc(COc3ccc(F)c(F)c3F)nc(-c3ccccn3)n2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H16F3N5O/c1-21(10-25)11-29(12-21)17-8-13(27-20(28-17)15-4-2-3-7-26-15)9-30-16-6-5-14(22)18(23)19(16)24/h2-8H,9,11-12H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QKPUKWQKXUUTOK-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