General Information of the Compound
| Compound ID |
CP0549528
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[6-[2-(4-fluorophenyl)ethoxy]pyrimidin-4-yl]-1,4-oxazepane
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H20FN3O2
|
||||||||||||||||||
| Molecular Weight |
317.364
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(CCOc2cc(ncn2)N2CCCOCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H20FN3O2/c18-15-4-2-14(3-5-15)6-10-23-17-12-16(19-13-20-17)21-7-1-9-22-11-8-21/h2-5,12-13H,1,6-11H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
RGNDTQUROAGOLC-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 | |||||||||||||||||||
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