General Information of the Compound
| Compound ID |
CP0911563
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-(2-(3,4-dimethoxybenzyl)pyrrolidin-1-yl)(6-methyl-3-(pyrimidin-2-yl)pyridin-2-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H26N4O3
|
||||||||||||||||||
| Molecular Weight |
418.497
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(C[C@@H]2CCCN2C(=O)c2nc(C)ccc2-c2ncccn2)cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26N4O3/c1-16-7-9-19(23-25-11-5-12-26-23)22(27-16)24(29)28-13-4-6-18(28)14-17-8-10-20(30-2)21(15-17)31-3/h5,7-12,15,18H,4,6,13-14H2,1-3H3/t18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GEYXXRIEVGPQOY-SFHVURJKSA-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