General Information of the Compound
| Compound ID |
CP0439672
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-Methoxy-N-(3-phenyl-isoquinolin-1-yl)-benzamide
Show/Hide
|
||||||||||||||||||
| Synonyms |
4-Methoxy-N-(3-phenyl-isoquinolin-1-yl)-benzamide
BDBM50097446
CHEMBL62075
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H18N2O2
|
||||||||||||||||||
| Molecular Weight |
354.409
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)C(=O)Nc1nc(cc2ccccc12)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H18N2O2/c1-27-19-13-11-17(12-14-19)23(26)25-22-20-10-6-5-9-18(20)15-21(24-22)16-7-3-2-4-8-16/h2-15H,1H3,(H,24,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MJZBWCOZBVDNSM-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
Clinical Information about the Compound