General Information of the Compound
| Compound ID |
CP0380858
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H21F3N2O2
|
||||||||||||||||||
| Molecular Weight |
426.438
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)Oc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H21F3N2O2/c25-24(26,27)31-22-11-9-21(10-12-22)28-23(30)19-7-5-17(6-8-19)15-29-14-13-18-3-1-2-4-20(18)16-29/h1-12H,13-16H2,(H,28,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LAMPPZAYRXOJOM-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