General Information of the Compound
| Compound ID |
CP0558701
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2,6-di(propan-2-yl)phenyl]-6-[(6-methyl-1,3-benzoxazol-2-yl)sulfanyl]hexanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H34N2O2S
|
||||||||||||||||||
| Molecular Weight |
438.637
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCSc1nc2ccc(C)cc2o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H34N2O2S/c1-17(2)20-10-9-11-21(18(3)4)25(20)28-24(29)12-7-6-8-15-31-26-27-22-14-13-19(5)16-23(22)30-26/h9-11,13-14,16-18H,6-8,12,15H2,1-5H3,(H,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KWZSJCJDXKWSLT-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