General Information of the Compound
| Compound ID |
CP0467868
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl 2-[7-(4-chlorophenyl)pyrazolo[5,1-b][1,3]thiazol-3-yl]-2-methyl-3-phenylpropanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H21ClN2O2S
|
||||||||||||||||||
| Molecular Weight |
424.953
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)C(C)(Cc1ccccc1)c1csc2c(cnn12)-c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H21ClN2O2S/c1-3-28-22(27)23(2,13-16-7-5-4-6-8-16)20-15-29-21-19(14-25-26(20)21)17-9-11-18(24)12-10-17/h4-12,14-15H,3,13H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
BBEDZQIJJGXNCF-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