General Information of the Compound
| Compound ID |
CP0572518
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(dimethylamino)-N-[2-[3-[[2-methoxy-5-[3-(propylcarbamoyl)phenyl]phenyl]sulfonylamino]anilino]ethyl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H39N5O5S
|
||||||||||||||||||
| Molecular Weight |
629.783
|
||||||||||||||||||
| Canonical SMILES |
CCCNC(=O)c1cccc(c1)-c1ccc(OC)c(c1)S(=O)(=O)Nc1cccc(NCCNC(=O)c2ccccc2N(C)C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H39N5O5S/c1-5-18-36-33(40)26-11-8-10-24(21-26)25-16-17-31(44-4)32(22-25)45(42,43)38-28-13-9-12-27(23-28)35-19-20-37-34(41)29-14-6-7-15-30(29)39(2)3/h6-17,21-23,35,38H,5,18-20H2,1-4H3,(H,36,40)(H,37,41)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NMCIZLIOATYHKE-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