General Information of the Compound
| Compound ID |
CP0123671
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-tert-Butyl-5-(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(fluoromethyl)-1H-pyrazol-3-yl)-1,3,4-oxadiazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H18Cl3FN4O
|
||||||||||||||||||
| Molecular Weight |
479.77
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1nnc(o1)-c1nn(c(c1CF)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H18Cl3FN4O/c1-22(2,3)21-28-27-20(31-21)18-15(11-26)19(12-4-6-13(23)7-5-12)30(29-18)17-9-8-14(24)10-16(17)25/h4-10H,11H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VTEQLISOOFUJJG-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