General Information of the Compound
| Compound ID |
CP0005249
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[[(2S)-1-methylazetidin-2-yl]methoxy]-5-(2-phenylethynyl)pyridine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H18N2O
|
||||||||||||||||||
| Molecular Weight |
278.355
|
||||||||||||||||||
| Canonical SMILES |
CN1CC[C@H]1COc1cncc(c1)C#Cc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H18N2O/c1-20-10-9-17(20)14-21-18-11-16(12-19-13-18)8-7-15-5-3-2-4-6-15/h2-6,11-13,17H,9-10,14H2,1H3/t17-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HCZDWLWWAVVIPY-KRWDZBQOSA-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