General Information of the Compound
| Compound ID |
CP0427620
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(4-cyclopent-2-en-1-ylphenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25FN2O3S
|
||||||||||||||||||
| Molecular Weight |
416.518
|
||||||||||||||||||
| Canonical SMILES |
CC(C(=O)NCc1ccc(cc1)C1CCC=C1)c1ccc(NS(C)(=O)=O)c(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25FN2O3S/c1-15(19-11-12-21(20(23)13-19)25-29(2,27)28)22(26)24-14-16-7-9-18(10-8-16)17-5-3-4-6-17/h3,5,7-13,15,17,25H,4,6,14H2,1-2H3,(H,24,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XLVSBBAKCTYGEW-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