General Information of the Compound
| Compound ID |
CP0546488
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1E)-1-(3-methyl-1,3-benzothiazol-2-ylidene)-3-prop-2-enylthiourea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H13N3S2
|
||||||||||||||||||
| Molecular Weight |
263.391
|
||||||||||||||||||
| Canonical SMILES |
Cn1c2ccccc2s\c1=N\C(=S)NCC=C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H13N3S2/c1-3-8-13-11(16)14-12-15(2)9-6-4-5-7-10(9)17-12/h3-7H,1,8H2,2H3,(H,13,16)/b14-12+
Show/Hide
|
||||||||||||||||||
| InChIKey |
XCGANXSUHYMPGJ-WYMLVPIESA-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 | |||||||||||||||||||
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: PT06248, Transient receptor potential cation channel subfamily M member 5