General Information of the Compound
| Compound ID |
CP0464872
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-6-methyl-3-pyrimidin-2-ylpyridine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H23FN6O2
|
||||||||||||||||||
| Molecular Weight |
446.486
|
||||||||||||||||||
| Canonical SMILES |
CCN([C@@H](C)Cc1noc(n1)-c1ccc(F)cc1)C(=O)c1nc(C)ccc1-c1ncccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H23FN6O2/c1-4-31(16(3)14-20-29-23(33-30-20)17-7-9-18(25)10-8-17)24(32)21-19(11-6-15(2)28-21)22-26-12-5-13-27-22/h5-13,16H,4,14H2,1-3H3/t16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OGRBDFWIZPXZCZ-INIZCTEOSA-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