General Information of the Compound
| Compound ID |
CP0329377
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2E)-2-{[(1E)-1-cyano-2-(3,4-dihydroxy-5-methoxyphenyl)eth-1-ene-1-]sulfonyl}-3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enenitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H16N2O8S
|
||||||||||||||||||
| Molecular Weight |
444.421
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(\C=C(/C#N)S(=O)(=O)C(=C\c2cc(O)c(O)c(OC)c2)\C#N)cc(O)c1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H16N2O8S/c1-29-17-7-11(5-15(23)19(17)25)3-13(9-21)31(27,28)14(10-22)4-12-6-16(24)20(26)18(8-12)30-2/h3-8,23-26H,1-2H3/b13-3+,14-4+
Show/Hide
|
||||||||||||||||||
| InChIKey |
RALUAQCUICRVFY-NPJRDEIVSA-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