General Information of the Compound
| Compound ID |
CP0458295
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2-methylphenyl)-2-(propanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H24N2O2S
|
||||||||||||||||||
| Molecular Weight |
356.491
|
||||||||||||||||||
| Canonical SMILES |
CCC(=O)Nc1sc2CCCCCc2c1C(=O)Nc1ccccc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H24N2O2S/c1-3-17(23)22-20-18(14-10-5-4-6-12-16(14)25-20)19(24)21-15-11-8-7-9-13(15)2/h7-9,11H,3-6,10,12H2,1-2H3,(H,21,24)(H,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YCHDLRDUVKNJJG-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