General Information of the Compound
| Compound ID |
CP0526776
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(3-cyclohexylpropoxy)-N,1-dimethyl-2-oxoquinoline-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H32F6N2O3
|
||||||||||||||||||
| Molecular Weight |
582.585
|
||||||||||||||||||
| Canonical SMILES |
CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(OCCCC2CCCCC2)c2ccccc2n(C)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H32F6N2O3/c1-37(18-20-15-21(29(31,32)33)17-22(16-20)30(34,35)36)27(39)25-26(41-14-8-11-19-9-4-3-5-10-19)23-12-6-7-13-24(23)38(2)28(25)40/h6-7,12-13,15-17,19H,3-5,8-11,14,18H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YSAIJQLOUKTQAJ-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