General Information of the Compound
| Compound ID |
CP0945316
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(4-Methyl-3-((1-nicotinoylpiperidin-4-yl)oxy)phenyl)benzo[d]-[1,3]dioxole-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H25N3O5
|
||||||||||||||||||
| Molecular Weight |
459.502
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1OC1CCN(C(=O)c2cccnc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H25N3O5/c1-17-4-6-20(28-25(30)18-5-7-22-24(13-18)33-16-32-22)14-23(17)34-21-8-11-29(12-9-21)26(31)19-3-2-10-27-15-19/h2-7,10,13-15,21H,8-9,11-12,16H2,1H3,(H,28,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UKVSHNYMRWYJKA-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