General Information of the Compound
| Compound ID |
CP0533070
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-cyclopropyl-6-(3-fluoroazetidin-1-yl)pyrimidin-4-yl)azepane
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H23FN4
|
||||||||||||||||||
| Molecular Weight |
290.386
|
||||||||||||||||||
| Canonical SMILES |
FC1CN(C1)c1cc(nc(n1)C1CC1)N1CCCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H23FN4/c17-13-10-21(11-13)15-9-14(18-16(19-15)12-5-6-12)20-7-3-1-2-4-8-20/h9,12-13H,1-8,10-11H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
WCKUPOIOQDQXOE-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