General Information of the Compound
| Compound ID |
CP0421596
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-1-(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H16F3N3O2
|
||||||||||||||||||
| Molecular Weight |
435.405
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1ccc(CO\N=C\c2c(nc3occn23)-c2ccc3ccccc3c2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H16F3N3O2/c25-24(26,27)20-9-5-16(6-10-20)15-32-28-14-21-22(29-23-30(21)11-12-31-23)19-8-7-17-3-1-2-4-18(17)13-19/h1-14H,15H2/b28-14+
Show/Hide
|
||||||||||||||||||
| InChIKey |
YNPJUDOGHKZVIK-CCVNUDIWSA-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: PT01552, Nuclear receptor subfamily 1 group I member 2
Protein ID: PT03733, Nuclear receptor subfamily 1 group I member 3