General Information of the Compound
| Compound ID |
CP0550706
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3-chloro-4-fluorophenyl)-4-fluoro-3-(3-hydroxyazepan-1-yl)sulfonylbenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H19ClF2N2O4S
|
||||||||||||||||||
| Molecular Weight |
444.887
|
||||||||||||||||||
| Canonical SMILES |
OC1CCCCN(C1)S(=O)(=O)c1cc(ccc1F)C(=O)Nc1ccc(F)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H19ClF2N2O4S/c20-15-10-13(5-7-16(15)21)23-19(26)12-4-6-17(22)18(9-12)29(27,28)24-8-2-1-3-14(25)11-24/h4-7,9-10,14,25H,1-3,8,11H2,(H,23,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XXDBIOWXTNQKDJ-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