General Information of the Compound
| Compound ID |
CP0542687
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-methylpropyl 2-(naphthalen-1-ylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H24N2O2S2
|
||||||||||||||||||
| Molecular Weight |
424.591
|
||||||||||||||||||
| Canonical SMILES |
CC(C)COC(=O)c1c(NC(=S)Nc2cccc3ccccc23)sc2CCCc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H24N2O2S2/c1-14(2)13-27-22(26)20-17-10-6-12-19(17)29-21(20)25-23(28)24-18-11-5-8-15-7-3-4-9-16(15)18/h3-5,7-9,11,14H,6,10,12-13H2,1-2H3,(H2,24,25,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XRGDBRZYFKFAJY-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