General Information of the Compound
| Compound ID |
CP0545740
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H17ClF4N2O3S
|
||||||||||||||||||
| Molecular Weight |
452.857
|
||||||||||||||||||
| Canonical SMILES |
CC(C(=O)NCc1ccc(cc1Cl)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H17ClF4N2O3S/c1-10(11-4-6-16(15(20)7-11)25-29(2,27)28)17(26)24-9-12-3-5-13(8-14(12)19)18(21,22)23/h3-8,10,25H,9H2,1-2H3,(H,24,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GETLWSOEMZFCBU-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