General Information of the Compound
| Compound ID |
CP0540259
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(3,3-Diethylthioureido)-4-isopropylthiophene-3-carboxylic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H20N2O2S2
|
||||||||||||||||||
| Molecular Weight |
300.449
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)C(=S)Nc1scc(C(C)C)c1C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H20N2O2S2/c1-5-15(6-2)13(18)14-11-10(12(16)17)9(7-19-11)8(3)4/h7-8H,5-6H2,1-4H3,(H,14,18)(H,16,17)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OKHVYSDBRLHMGN-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