General Information of the Compound
| Compound ID |
CP0858011
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-tert-butyl-N-(4,5-difluoro-2-(pyridine-4-carbonyl)phenyl)benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H20F2N2O3S
|
||||||||||||||||||
| Molecular Weight |
430.476
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(F)c(F)cc2C(=O)c2ccncc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H20F2N2O3S/c1-22(2,3)15-4-6-16(7-5-15)30(28,29)26-20-13-19(24)18(23)12-17(20)21(27)14-8-10-25-11-9-14/h4-13,26H,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
WOBPAAQMCPABAS-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