General Information of the Compound
| Compound ID |
CP0508677
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-methoxy-N-methyl-N-(4-pyridin-3-ylphenyl)benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H18N2O3S
|
||||||||||||||||||
| Molecular Weight |
354.431
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(c1)S(=O)(=O)N(C)c1ccc(cc1)-c1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H18N2O3S/c1-21(25(22,23)19-7-3-6-18(13-19)24-2)17-10-8-15(9-11-17)16-5-4-12-20-14-16/h3-14H,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ABBZUEDREFGILB-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
Protein ID: PT03119, Cytochrome P450 11B1, mitochondrial
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial