General Information of the Compound
| Compound ID |
CP0369138
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(4-fluorophenyl)-1-methyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinoline-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H20F4N2O
|
||||||||||||||||||
| Molecular Weight |
428.429
|
||||||||||||||||||
| Canonical SMILES |
CC1(N(CCc2ccccc12)C(=O)Nc1ccc(F)cc1)c1ccc(cc1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H20F4N2O/c1-23(17-6-8-18(9-7-17)24(26,27)28)21-5-3-2-4-16(21)14-15-30(23)22(31)29-20-12-10-19(25)11-13-20/h2-13H,14-15H2,1H3,(H,29,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BJPSYGAFXLPUEU-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