General Information of the Compound
| Compound ID |
CP0219932
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
S-[[3-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazol-4-yl]methyl] ethanethioate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H21Cl3N4O2S
|
||||||||||||||||||
| Molecular Weight |
535.884
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)SCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)-c1nnc(o1)C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H21Cl3N4O2S/c1-13(32)34-12-17-20(22-28-29-23(33-22)24(2,3)4)30-31(19-10-9-16(26)11-18(19)27)21(17)14-5-7-15(25)8-6-14/h5-11H,12H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
FRJVQJXNLGRRHJ-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