General Information of the Compound
| Compound ID |
CP0578634
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[6-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-yl]-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H21F3N6O3S
|
||||||||||||||||||
| Molecular Weight |
530.532
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)COc1ccc(CN2CCN(CC2)C(=O)c2ccc(nc2)-c2nc(no2)-c2cncs2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H21F3N6O3S/c25-24(26,27)14-35-18-4-1-16(2-5-18)13-32-7-9-33(10-8-32)23(34)17-3-6-19(29-11-17)22-30-21(31-36-22)20-12-28-15-37-20/h1-6,11-12,15H,7-10,13-14H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZWDWHVRLANZWRQ-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