General Information of the Compound
| Compound ID |
CP0257915
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-oxo-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-isoindole-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H22N4O2
|
||||||||||||||||||
| Molecular Weight |
350.422
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)c1cccc2CN(C3CCN(Cc4ccccn4)CC3)C(=O)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H22N4O2/c21-19(25)17-6-3-4-14-12-24(20(26)18(14)17)16-7-10-23(11-8-16)13-15-5-1-2-9-22-15/h1-6,9,16H,7-8,10-13H2,(H2,21,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CCGJVGSERDTSKY-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