General Information of the Compound
| Compound ID |
CP0396736
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(benzhydrylsulfinylmethyl)-2-tert-butyl-1,3-thiazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H23NOS2
|
||||||||||||||||||
| Molecular Weight |
369.555
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1ncc(C[S+]([O-])C(c2ccccc2)c2ccccc2)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23NOS2/c1-21(2,3)20-22-14-18(24-20)15-25(23)19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-14,19H,15H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
LCDGXCYUIKLVQT-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