General Information of the Compound
| Compound ID |
CP0517460
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(N-(6-chloro-3-methylbenzo[d]isothiazol-5-yl)-3,4-dimethoxyphenylsulfonamido)-N-ethyl-N-(6-methylpyridin-2-yl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H27ClN4O5S2
|
||||||||||||||||||
| Molecular Weight |
575.112
|
||||||||||||||||||
| Canonical SMILES |
CCN(C(=O)CN(c1cc2c(C)nsc2cc1Cl)S(=O)(=O)c1ccc(OC)c(OC)c1)c1cccc(C)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H27ClN4O5S2/c1-6-30(25-9-7-8-16(2)28-25)26(32)15-31(21-13-19-17(3)29-37-24(19)14-20(21)27)38(33,34)18-10-11-22(35-4)23(12-18)36-5/h7-14H,6,15H2,1-5H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KGULASVFSCTHIO-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: PT01132, Orexin receptor type 2
Protein ID: PT02001, Orexin/Hypocretin receptor type 1