General Information of the Compound
| Compound ID |
CP0545053
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2,6-Dimethyl-4-[2-(3-methyl-isoxazol-5-yl)-vinyl]-phenol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H15NO2
|
||||||||||||||||||
| Molecular Weight |
229.279
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(\C=C\c2cc(C)c(O)c(C)c2)on1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H15NO2/c1-9-6-12(7-10(2)14(9)16)4-5-13-8-11(3)15-17-13/h4-8,16H,1-3H3/b5-4+
Show/Hide
|
||||||||||||||||||
| InChIKey |
YEYACJDAWKVASX-SNAWJCMRSA-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