General Information of the Compound
| Compound ID |
CP0578573
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[3-[[3-[4-[2-(dimethylamino)benzoyl]piperazin-1-yl]phenyl]sulfamoyl]-4-methoxyphenyl]-N,N-dimethylbenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H39N5O5S
|
||||||||||||||||||
| Molecular Weight |
641.794
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1S(=O)(=O)Nc1cccc(c1)N1CCN(CC1)C(=O)c1ccccc1N(C)C)-c1cccc(c1)C(=O)N(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H39N5O5S/c1-37(2)31-15-7-6-14-30(31)35(42)40-20-18-39(19-21-40)29-13-9-12-28(24-29)36-46(43,44)33-23-26(16-17-32(33)45-5)25-10-8-11-27(22-25)34(41)38(3)4/h6-17,22-24,36H,18-21H2,1-5H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
FTNOXFRCOIJEQU-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