General Information of the Compound
| Compound ID |
CP0274736
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(azetidin-1-yl)-2-phenyl-1,1-di(pyridin-3-yl)ethanol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21N3O
|
||||||||||||||||||
| Molecular Weight |
331.419
|
||||||||||||||||||
| Canonical SMILES |
OC(C(N1CCC1)c1ccccc1)(c1cccnc1)c1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21N3O/c25-21(18-9-4-11-22-15-18,19-10-5-12-23-16-19)20(24-13-6-14-24)17-7-2-1-3-8-17/h1-5,7-12,15-16,20,25H,6,13-14H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
VBABGCUAQJTMHR-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