General Information of the Compound
| Compound ID |
CP0957716
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(4,4-difluoropiperidin-1-yl)-6-methyl-2-(trifluoromethyl)quinoline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H15F5N2
|
||||||||||||||||||
| Molecular Weight |
330.3
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc2nc(C(F)(F)F)cc(N3CCC(F)(F)CC3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H15F5N2/c1-10-2-3-12-11(8-10)13(9-14(22-12)16(19,20)21)23-6-4-15(17,18)5-7-23/h2-3,8-9H,4-7H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KKHMQNCHQZAPKZ-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