General Information of the Compound
| Compound ID |
CP0577748
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
propan-2-yl 6-methyl-2-(naphthalen-1-ylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H26N2O2S2
|
||||||||||||||||||
| Molecular Weight |
438.618
|
||||||||||||||||||
| Canonical SMILES |
CC(C)OC(=O)c1c(NC(=S)Nc2cccc3ccccc23)sc2CC(C)CCc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26N2O2S2/c1-14(2)28-23(27)21-18-12-11-15(3)13-20(18)30-22(21)26-24(29)25-19-10-6-8-16-7-4-5-9-17(16)19/h4-10,14-15H,11-13H2,1-3H3,(H2,25,26,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GDYLZBRNJMEKOW-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 | |||||||||||||||||||
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