General Information of the Compound
| Compound ID |
CP0567573
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,1-dimethyl-2-oxo-4-(2-phenylmethoxyethoxy)quinoline-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H26F6N2O4
|
||||||||||||||||||
| Molecular Weight |
592.536
|
||||||||||||||||||
| Canonical SMILES |
CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1c(OCCOCc2ccccc2)c2ccccc2n(C)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H26F6N2O4/c1-37(17-20-14-21(29(31,32)33)16-22(15-20)30(34,35)36)27(39)25-26(23-10-6-7-11-24(23)38(2)28(25)40)42-13-12-41-18-19-8-4-3-5-9-19/h3-11,14-16H,12-13,17-18H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
SJQCSSCACGCTEU-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