General Information of the Compound
| Compound ID |
CP0340885
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4,4-difluoro-N-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoquinoline-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H16F6N2O
|
||||||||||||||||||
| Molecular Weight |
450.382
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(NC(=O)N2CC(F)(F)c3ccccc3C2c2ccc(cc2)C(F)(F)F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H16F6N2O/c24-16-9-11-17(12-10-16)30-21(32)31-13-22(25,26)19-4-2-1-3-18(19)20(31)14-5-7-15(8-6-14)23(27,28)29/h1-12,20H,13H2,(H,30,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UIHWUXUEBNUTFJ-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