General Information of the Compound
| Compound ID |
CP0148539
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[2-[2-[4-[5-(dimethylcarbamoyl)pyridin-2-yl]oxypiperidin-1-yl]-2-oxoethyl]phenyl]boronic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H26BN3O5
|
||||||||||||||||||
| Molecular Weight |
411.267
|
||||||||||||||||||
| Canonical SMILES |
CN(C)C(=O)c1ccc(OC2CCN(CC2)C(=O)Cc2ccccc2B(O)O)nc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H26BN3O5/c1-24(2)21(27)16-7-8-19(23-14-16)30-17-9-11-25(12-10-17)20(26)13-15-5-3-4-6-18(15)22(28)29/h3-8,14,17,28-29H,9-13H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
SFPKXCDZSAEQNQ-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