General Information of the Compound
| Compound ID |
CP0503014
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(N-(2-chloro-5-(diethylamino)phenyl)-3,4-dimethoxyphenylsulfonamido)-N,N-diethylacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H34ClN3O5S
|
||||||||||||||||||
| Molecular Weight |
512.072
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)C(=O)CN(c1cc(ccc1Cl)N(CC)CC)S(=O)(=O)c1ccc(OC)c(OC)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H34ClN3O5S/c1-7-26(8-2)18-11-13-20(25)21(15-18)28(17-24(29)27(9-3)10-4)34(30,31)19-12-14-22(32-5)23(16-19)33-6/h11-16H,7-10,17H2,1-6H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
SMQQXFDYSJEWEM-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