General Information of the Compound
| Compound ID |
CP0448542
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-naphthalene-1-carboxylic acid methyl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H16N2O5S
|
||||||||||||||||||
| Molecular Weight |
360.391
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)c1cccc2c(cccc12)S(=O)(=O)Nc1onc(C)c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H16N2O5S/c1-10-11(2)18-24-16(10)19-25(21,22)15-9-5-6-12-13(15)7-4-8-14(12)17(20)23-3/h4-9,19H,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
MPBRBRJAEJRNMC-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