General Information of the Compound
| Compound ID |
CP0874291
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(rac)-(2-(3-methoxyphenethyl)piperidin-1-yl)(5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H28N4O2
|
||||||||||||||||||
| Molecular Weight |
404.514
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(CCC2CCCCN2C(=O)c2cc(C)ccc2-n2nccn2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H28N4O2/c1-18-9-12-23(28-25-13-14-26-28)22(16-18)24(29)27-15-4-3-7-20(27)11-10-19-6-5-8-21(17-19)30-2/h5-6,8-9,12-14,16-17,20H,3-4,7,10-11,15H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
REOZYZIIPOJEAW-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