General Information of the Compound
| Compound ID |
CP0548287
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-N-(4-ethoxyphenyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H28N2O2
|
||||||||||||||||||
| Molecular Weight |
400.522
|
||||||||||||||||||
| Canonical SMILES |
CCOc1ccc(NC(=O)c2ccc(CCN3CCc4ccccc4C3)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H28N2O2/c1-2-30-25-13-11-24(12-14-25)27-26(29)22-9-7-20(8-10-22)15-17-28-18-16-21-5-3-4-6-23(21)19-28/h3-14H,2,15-19H2,1H3,(H,27,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DEKZHSHBOMNVKF-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
Protein ID: PT03645, Nucleotide-binding oligomerization domain-containing protein 1
Protein ID: PT03970, Nucleotide-binding oligomerization domain-containing protein 2