General Information of the Compound
| Compound ID |
CP0469703
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-1-[2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H30N4O3
|
||||||||||||||||||
| Molecular Weight |
434.54
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2nccc(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H30N4O3/c1-30-21-2-3-23-22(15-21)18(4-8-26-23)5-9-29-10-6-19(7-11-29)27-16-20-14-24-25(17-28-20)32-13-12-31-24/h2-4,8,14-15,17,19,27H,5-7,9-13,16H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
OCLDGHBWRPSCLC-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