General Information of the Compound
| Compound ID |
CP0379053
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(5,6-dimethoxypyridin-2-yl)methyl]-2-(5-methylpyridin-3-yl)-5-pyrrolidin-1-ylpyridine-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H27N5O3
|
||||||||||||||||||
| Molecular Weight |
433.512
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(CNC(=O)c2cc(ncc2N2CCCC2)-c2cncc(C)c2)nc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H27N5O3/c1-16-10-17(13-25-12-16)20-11-19(21(15-26-20)29-8-4-5-9-29)23(30)27-14-18-6-7-22(31-2)24(28-18)32-3/h6-7,10-13,15H,4-5,8-9,14H2,1-3H3,(H,27,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PETCVTGFELAAJK-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