General Information of the Compound
| Compound ID |
CP0414945
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(4-(1-benzylpiperidin-4-yl)piperazin-1-yl)-5-chloro-N-(2-phenoxyethyl)nicotinamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H36ClN5O2
|
||||||||||||||||||
| Molecular Weight |
534.104
|
||||||||||||||||||
| Canonical SMILES |
Clc1cc(cnc1N1CCN(CC1)C1CCN(Cc2ccccc2)CC1)C(=O)NCCOc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H36ClN5O2/c31-28-21-25(30(37)32-13-20-38-27-9-5-2-6-10-27)22-33-29(28)36-18-16-35(17-19-36)26-11-14-34(15-12-26)23-24-7-3-1-4-8-24/h1-10,21-22,26H,11-20,23H2,(H,32,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VKQDVVFNDNSOHJ-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