General Information of the Compound
| Compound ID |
CP0381056
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-Phenyl-quinoline-3-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)-methyl-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H18F6N2O
|
||||||||||||||||||
| Molecular Weight |
488.431
|
||||||||||||||||||
| Canonical SMILES |
CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1cnc2ccccc2c1-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H18F6N2O/c1-34(15-16-11-18(25(27,28)29)13-19(12-16)26(30,31)32)24(35)21-14-33-22-10-6-5-9-20(22)23(21)17-7-3-2-4-8-17/h2-14H,15H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HOXMJKBXEYOSML-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