General Information of the Compound
| Compound ID |
CP0569919
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-[[4-[6-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridine-3-carbonyl]piperazin-1-yl]methyl]phenyl] acetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H24F3N5O4
|
||||||||||||||||||
| Molecular Weight |
551.525
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)Oc1ccc(CN2CCN(CC2)C(=O)c2ccc(nc2)-c2nc(no2)-c2ccc(cc2)C(F)(F)F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H24F3N5O4/c1-18(37)39-23-9-2-19(3-10-23)17-35-12-14-36(15-13-35)27(38)21-6-11-24(32-16-21)26-33-25(34-40-26)20-4-7-22(8-5-20)28(29,30)31/h2-11,16H,12-15,17H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KOYYFYFMYOLBDG-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 | |||||||||||||||||||
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