General Information of the Compound
| Compound ID |
CP0536742
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(5-tert-butyl-1,3-thiazol-2-yl)-4-phenoxybutanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H22N2O2S
|
||||||||||||||||||
| Molecular Weight |
318.442
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1cnc(NC(=O)CCCOc2ccccc2)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H22N2O2S/c1-17(2,3)14-12-18-16(22-14)19-15(20)10-7-11-21-13-8-5-4-6-9-13/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,18,19,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PVMILVVWYAPWLN-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