General Information of the Compound
| Compound ID |
CP0397508
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[2-(4-chloro-2-fluoroanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H17ClFN3OS
|
||||||||||||||||||
| Molecular Weight |
353.85
|
||||||||||||||||||
| Canonical SMILES |
CC1CCN(CC1)C(=O)c1csc(Nc2ccc(Cl)cc2F)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H17ClFN3OS/c1-10-4-6-21(7-5-10)15(22)14-9-23-16(20-14)19-13-3-2-11(17)8-12(13)18/h2-3,8-10H,4-7H2,1H3,(H,19,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JQPJFOCBVPNBNK-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
Protein ID: PT05347, Short transient receptor potential channel 3
Protein ID: PT04958, Short transient receptor potential channel 6