General Information of the Compound
| Compound ID |
CP0539692
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-N,3-N-diethyl-2-N-(thiophene-2-)-1-benzothiophene-2,3-diamido
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H18N2O2S2
|
||||||||||||||||||
| Molecular Weight |
358.488
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H18N2O2S2/c1-3-20(4-2)18(22)15-12-8-5-6-9-13(12)24-17(15)19-16(21)14-10-7-11-23-14/h5-11H,3-4H2,1-2H3,(H,19,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
TZBUOABVIGYODT-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