General Information of the Compound
| Compound ID |
CP0509539
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(1-(2,4-difluorobenzyl)-1H-indol-3-ylsulfonyl)-N-(5-methylisoxazol-3-yl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H17F2N3O4S
|
||||||||||||||||||
| Molecular Weight |
445.447
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3ccc(F)cc3F)c3ccccc23)no1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H17F2N3O4S/c1-13-8-20(25-30-13)24-21(27)12-31(28,29)19-11-26(18-5-3-2-4-16(18)19)10-14-6-7-15(22)9-17(14)23/h2-9,11H,10,12H2,1H3,(H,24,25,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MCJWRJDZKQWIDL-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