General Information of the Compound
| Compound ID |
CP0967540
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(5-chloro-2-(4-(4-methyl-tetrahydro-2H-pyran-4-yl)phenylsulfonamido)benzoyl)-2-methylpyridine 1-oxide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H25ClN2O5S
|
||||||||||||||||||
| Molecular Weight |
501.004
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(C(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccc(C3(C)CCOCC3)cc2)cc[n+]1[O-]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25ClN2O5S/c1-17-15-18(9-12-28(17)30)24(29)22-16-20(26)5-8-23(22)27-34(31,32)21-6-3-19(4-7-21)25(2)10-13-33-14-11-25/h3-9,12,15-16,27H,10-11,13-14H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
SQCDQVFKGKHNKU-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