General Information of the Compound
| Compound ID |
CP0502078
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-fluorophenyl)-3-(methylsulfinyl)-N-((S)-1-phenylpropyl)quinoline-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H23FN2O2S
|
||||||||||||||||||
| Molecular Weight |
446.547
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H](NC(=O)c1c(c(nc2ccccc12)-c1ccc(F)cc1)S(C)=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H23FN2O2S/c1-3-21(17-9-5-4-6-10-17)29-26(30)23-20-11-7-8-12-22(20)28-24(25(23)32(2)31)18-13-15-19(27)16-14-18/h4-16,21H,3H2,1-2H3,(H,29,30)/t21-,32?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IOYHGYBXRSVPKS-GIFGLUKTSA-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