General Information of the Compound
| Compound ID |
CP0563183
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N,2,2-trimethyl-N-[(5-methylthiophen-2-yl)methyl]butanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H21NOS
|
||||||||||||||||||
| Molecular Weight |
239.384
|
||||||||||||||||||
| Canonical SMILES |
CCC(C)(C)C(=O)N(C)Cc1ccc(C)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H21NOS/c1-6-13(3,4)12(15)14(5)9-11-8-7-10(2)16-11/h7-8H,6,9H2,1-5H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
SRRFJWHABZSTIM-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