General Information of the Compound
| Compound ID |
CP0237932
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[5-methoxy-2-[2-oxo-2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxypiperidin-1-yl]ethyl]phenyl]boronic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H22BF3N2O5
|
||||||||||||||||||
| Molecular Weight |
438.211
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(CC(=O)N2CCC(CC2)Oc2ccc(cn2)C(F)(F)F)c(c1)B(O)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H22BF3N2O5/c1-30-16-4-2-13(17(11-16)21(28)29)10-19(27)26-8-6-15(7-9-26)31-18-5-3-14(12-25-18)20(22,23)24/h2-5,11-12,15,28-29H,6-10H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
OGPSTAGPAKIGPU-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