General Information of the Compound
| Compound ID |
CP0958970
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(3-((2-chloro-4-(trifluoromethyl)phenoxy)methyl)phenyl)azetidin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H13ClF3NO2
|
||||||||||||||||||
| Molecular Weight |
355.743
|
||||||||||||||||||
| Canonical SMILES |
O=C1CC(c2cccc(COc3ccc(C(F)(F)F)cc3Cl)c2)N1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H13ClF3NO2/c18-13-7-12(17(19,20)21)4-5-15(13)24-9-10-2-1-3-11(6-10)14-8-16(23)22-14/h1-7,14H,8-9H2,(H,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XHCXWMHKFLLUMU-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