General Information of the Compound
| Compound ID |
CP0532750
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(3,3-difluoroazetidin-1-yl)sulfonyl-N-(3,4-difluorophenyl)-2-fluorobenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H11F5N2O3S
|
||||||||||||||||||
| Molecular Weight |
406.332
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(NC(=O)c2cc(ccc2F)S(=O)(=O)N2CC(F)(F)C2)cc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H11F5N2O3S/c17-12-4-2-10(27(25,26)23-7-16(20,21)8-23)6-11(12)15(24)22-9-1-3-13(18)14(19)5-9/h1-6H,7-8H2,(H,22,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NTLMMHADDCGYAL-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