General Information of the Compound
| Compound ID |
CP0916409
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Trifluoro-acetate2-{2-[7-chloro-6-diethylcarbamoyl-3-(3,5-dimethyl-phenyl)-2-oxo-1,2-dihydro-quinolin-4-yloxy]-ethyl}-piperidinium
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H37ClF3N3O5
|
||||||||||||||||||
| Molecular Weight |
624.1
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)C(=O)c1cc2c(OCCC3CCCCN3)c(-c3cc(C)cc(C)c3)c(O)nc2cc1Cl.O=C(O)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H36ClN3O3.C2HF3O2/c1-5-33(6-2)29(35)22-16-23-25(17-24(22)30)32-28(34)26(20-14-18(3)13-19(4)15-20)27(23)36-12-10-21-9-7-8-11-31-21;3-2(4,5)1(6)7/h13-17,21,31H,5-12H2,1-4H3,(H,32,34);(H,6,7)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GRDXFMLCNDVSCY-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