General Information of the Compound
| Compound ID |
CP0579830
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]-[5-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyrazin-2-yl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H22F6N6O3
|
||||||||||||||||||
| Molecular Weight |
592.5
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)COc1ccc(CN2CCN(CC2)C(=O)c2cnc(cn2)-c2noc(n2)-c2ccc(cc2)C(F)(F)F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H22F6N6O3/c28-26(29,30)16-41-20-7-1-17(2-8-20)15-38-9-11-39(12-10-38)25(40)22-14-34-21(13-35-22)23-36-24(42-37-23)18-3-5-19(6-4-18)27(31,32)33/h1-8,13-14H,9-12,15-16H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
YSDCPMVSCPGUAD-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