General Information of the Compound
| Compound ID |
CP0576768
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(dimethylamino)-N-[2-[3-[[5-[3-(dipropylamino)phenyl]-2-methoxyphenyl]sulfonylamino]anilino]ethyl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H45N5O4S
|
||||||||||||||||||
| Molecular Weight |
643.854
|
||||||||||||||||||
| Canonical SMILES |
CCCN(CCC)c1cccc(c1)-c1ccc(OC)c(c1)S(=O)(=O)Nc1cccc(NCCNC(=O)c2ccccc2N(C)C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H45N5O4S/c1-6-22-41(23-7-2)31-15-10-12-27(24-31)28-18-19-34(45-5)35(25-28)46(43,44)39-30-14-11-13-29(26-30)37-20-21-38-36(42)32-16-8-9-17-33(32)40(3)4/h8-19,24-26,37,39H,6-7,20-23H2,1-5H3,(H,38,42)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FXDKXRKNBMOYKT-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 | |||||||||||||||||||
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