General Information of the Compound
| Compound ID |
CP0501442
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-ethoxy-3-(methylsulfinyl)-2-phenyl-N-((S)-1-phenylpropyl)quinoline-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H28N2O3S
|
||||||||||||||||||
| Molecular Weight |
472.61
|
||||||||||||||||||
| Canonical SMILES |
CCOc1ccc2c(C(=O)N[C@@H](CC)c3ccccc3)c(c(nc2c1)-c1ccccc1)S(C)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H28N2O3S/c1-4-23(19-12-8-6-9-13-19)30-28(31)25-22-17-16-21(33-5-2)18-24(22)29-26(27(25)34(3)32)20-14-10-7-11-15-20/h6-18,23H,4-5H2,1-3H3,(H,30,31)/t23-,34?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YLWXWCGVLCGQKX-SKBWGGTPSA-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