General Information of the Compound
| Compound ID |
CP0380342
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[3-(dimethylcarbamoyl)phenyl]-2-methoxy-N-[3-[2-[(3-methylbenzoyl)amino]ethylamino]phenyl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H34N4O4
|
||||||||||||||||||
| Molecular Weight |
550.659
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1C(=O)Nc1cccc(NCCNC(=O)c2cccc(C)c2)c1)-c1cccc(c1)C(=O)N(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H34N4O4/c1-22-8-5-10-25(18-22)31(38)35-17-16-34-27-12-7-13-28(21-27)36-32(39)29-20-24(14-15-30(29)41-4)23-9-6-11-26(19-23)33(40)37(2)3/h5-15,18-21,34H,16-17H2,1-4H3,(H,35,38)(H,36,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WRYAPWOPVUMDOK-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