General Information of the Compound
| Compound ID |
CP0534057
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-cyano-3-(1-methylpiperidin-4-yl)oxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H26N4O3
|
||||||||||||||||||
| Molecular Weight |
382.464
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1cc(CNC(=O)c2ccc(C#N)c(OC3CCN(C)CC3)c2)on1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H26N4O3/c1-14(2)19-11-18(28-24-19)13-23-21(26)15-4-5-16(12-22)20(10-15)27-17-6-8-25(3)9-7-17/h4-5,10-11,14,17H,6-9,13H2,1-3H3,(H,23,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BELWYPHIWGNHNP-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