General Information of the Compound
| Compound ID |
CP0533766
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(6-fluoro-1H-indazol-3-yl)-N-(4-methylsulfonylphenyl)benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Formula |
C20H16FN3O4S2
|
||||||||||||||||||
| Molecular Weight |
445.497
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(c2)-c2n[nH]c3cc(F)ccc23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H16FN3O4S2/c1-29(25,26)16-8-6-15(7-9-16)24-30(27,28)17-4-2-3-13(11-17)20-18-10-5-14(21)12-19(18)22-23-20/h2-12,24H,1H3,(H,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RNVLUCHCKZGJKL-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 | |||||||||||||||||||
| 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
Protein ID: PT02266, Dual specificity mitogen-activated protein kinase kinase 4
Protein ID: PT02293, Dual specificity mitogen-activated protein kinase kinase 7