General Information of the Compound
| Compound ID |
CP0475002
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-ethyl-2-methyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H23NO2S
|
||||||||||||||||||
| Molecular Weight |
317.454
|
||||||||||||||||||
| Canonical SMILES |
CCN(Cc1cccs1)C(=O)C(C)(C)Oc1ccc(C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H23NO2S/c1-5-19(13-16-7-6-12-22-16)17(20)18(3,4)21-15-10-8-14(2)9-11-15/h6-12H,5,13H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
AXEZSDNDFNGYHC-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