General Information of the Compound
| Compound ID |
CP0404216
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-tert-Butyl-phenyl)-N-isoquinolin-5-yl-acrylamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H22N2O
|
||||||||||||||||||
| Molecular Weight |
330.431
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1ccc(\C=C\C(=O)Nc2cccc3cnccc23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22N2O/c1-22(2,3)18-10-7-16(8-11-18)9-12-21(25)24-20-6-4-5-17-15-23-14-13-19(17)20/h4-15H,1-3H3,(H,24,25)/b12-9+
Show/Hide
|
||||||||||||||||||
| InChIKey |
YOZVSKHPPFPGGU-FMIVXFBMSA-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