General Information of the Compound
| Compound ID |
CP0466021
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-tert-Butyl-6-methoxy-4-[2-(3-methyl-isoxazol-5-yl)-vinyl]-phenol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H21NO3
|
||||||||||||||||||
| Molecular Weight |
287.359
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(\C=C\c2cc(C)no2)cc(c1O)C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H21NO3/c1-11-8-13(21-18-11)7-6-12-9-14(17(2,3)4)16(19)15(10-12)20-5/h6-10,19H,1-5H3/b7-6+
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZLYMBHLTWYKVSM-VOTSOKGWSA-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