General Information of the Compound
| Compound ID |
CP0211220
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)pyridin-2-yl]pyridine-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H22N6O2
|
||||||||||||||||||
| Molecular Weight |
402.458
|
||||||||||||||||||
| Canonical SMILES |
O=C(Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O)c1ccncc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22N6O2/c29-20(14-1-6-23-7-2-14)28-18-11-15(3-8-25-18)17-12-16-19(27-17)22(13-26-21(16)30)4-9-24-10-5-22/h1-3,6-8,11-12,24,27H,4-5,9-10,13H2,(H,26,30)(H,25,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
USWNIDNQZMFUOA-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