General Information of the Compound
| Compound ID |
CP0150041
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-Bromo-2-(2,2-dimethyl-5-methylene-cyclopentylmethyl)-4-methoxy-phenol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H21BrO2
|
||||||||||||||||||
| Molecular Weight |
325.246
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(CC2C(=C)CCC2(C)C)c(O)cc1Br
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H21BrO2/c1-10-5-6-16(2,3)12(10)7-11-8-15(19-4)13(17)9-14(11)18/h8-9,12,18H,1,5-7H2,2-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZHVKQLMQUPEPHX-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