General Information of the Compound
| Compound ID |
CP0426684
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-methoxy-3-[(5-methyl-2-piperidin-1-ylphenyl)sulfamoyl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H24N2O5S
|
||||||||||||||||||
| Molecular Weight |
404.488
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1S(=O)(=O)Nc1cc(C)ccc1N1CCCCC1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H24N2O5S/c1-14-6-8-17(22-10-4-3-5-11-22)16(12-14)21-28(25,26)19-13-15(20(23)24)7-9-18(19)27-2/h6-9,12-13,21H,3-5,10-11H2,1-2H3,(H,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FUPPCZKANSXYHA-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