General Information of the Compound
| Compound ID |
CP0055056
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Acetic acid 5-bromo-4-methoxy-2-(4,6,6-trimethyl-2-methylene-cyclohex-3-enylmethyl)-phenyl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H25BrO3
|
||||||||||||||||||
| Molecular Weight |
393.321
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(CC2C(=C)C=C(C)CC2(C)C)c(OC(C)=O)cc1Br
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H25BrO3/c1-12-7-13(2)16(20(4,5)11-12)8-15-9-19(23-6)17(21)10-18(15)24-14(3)22/h7,9-10,16H,2,8,11H2,1,3-6H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
SWJKQYBPSVCQOG-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