General Information of the Compound
| Compound ID |
CP0214541
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[3-[4-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]phenoxy]azetidin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H28N4O4
|
||||||||||||||||||
| Molecular Weight |
448.523
|
||||||||||||||||||
| Canonical SMILES |
CN(Cc1ccc(OC2CN(C2)C(=O)c2nnc(o2)-c2ccccc2)cc1)CC1(C)COC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28N4O4/c1-25(16-31-17-25)15-28(2)12-18-8-10-20(11-9-18)32-21-13-29(14-21)24(30)23-27-26-22(33-23)19-6-4-3-5-7-19/h3-11,21H,12-17H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
GXBSBFLWQCTABZ-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