General Information of the Compound
| Compound ID |
CP0569900
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4-(4-fluorophenyl)pyrimidin-5-yl]-N,N-dimethylpiperidine-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H21FN4O
|
||||||||||||||||||
| Molecular Weight |
328.391
|
||||||||||||||||||
| Canonical SMILES |
CN(C)C(=O)C1CCN(CC1)c1cncnc1-c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H21FN4O/c1-22(2)18(24)14-7-9-23(10-8-14)16-11-20-12-21-17(16)13-3-5-15(19)6-4-13/h3-6,11-12,14H,7-10H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JSUDZDWPRJJVLA-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