General Information of the Compound
| Compound ID |
CP0534153
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[bis(4-chlorophenyl)methylsulfinylmethyl]-2-cyclopropyl-1,3-thiazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H17Cl2NOS2
|
||||||||||||||||||
| Molecular Weight |
422.402
|
||||||||||||||||||
| Canonical SMILES |
[O-][S+](Cc1csc(n1)C1CC1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H17Cl2NOS2/c21-16-7-3-13(4-8-16)19(14-5-9-17(22)10-6-14)26(24)12-18-11-25-20(23-18)15-1-2-15/h3-11,15,19H,1-2,12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
XCFQYMQSUBGKCQ-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