General Information of the Compound
| Compound ID |
CP0483405
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(rac)-alpha-methylbenzyl fumarate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H12O4
|
||||||||||||||||||
| Molecular Weight |
220.224
|
||||||||||||||||||
| Canonical SMILES |
CC(OC(=O)\C=C\C(O)=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H12O4/c1-9(10-5-3-2-4-6-10)16-12(15)8-7-11(13)14/h2-9H,1H3,(H,13,14)/b8-7+
Show/Hide
|
||||||||||||||||||
| InChIKey |
LFSLBFQHEUIJDD-BQYQJAHWSA-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