General Information of the Compound
| Compound ID |
CP0561684
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[[2,6-dimethyl-4-[(E)-3-(4-methylsulfanylphenyl)-3-oxoprop-1-enyl]phenoxy]methyl]prop-2-enoic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C22H22O4S
|
||||||||||||||||||
| Molecular Weight |
382.481
|
||||||||||||||||||
| Canonical SMILES |
CSc1ccc(cc1)C(=O)\C=C\c1cc(C)c(OCC(=C)C(O)=O)c(C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22O4S/c1-14-11-17(12-15(2)21(14)26-13-16(3)22(24)25)5-10-20(23)18-6-8-19(27-4)9-7-18/h5-12H,3,13H2,1-2,4H3,(H,24,25)/b10-5+
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZWYRGFQBVFBCPP-BJMVGYQFSA-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 | |||||||||||||||||||
| 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