General Information of the Compound
| Compound ID |
CP0531908
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H24F6N4O
|
||||||||||||||||||
| Molecular Weight |
498.471
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cccc(c1)N1CCN(CCNCc2cc(no2)-c2ccccc2C(F)(F)F)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H24F6N4O/c25-23(26,27)17-4-3-5-18(14-17)34-12-10-33(11-13-34)9-8-31-16-19-15-22(32-35-19)20-6-1-2-7-21(20)24(28,29)30/h1-7,14-15,31H,8-13,16H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
NJXHRBPCCZIYSW-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