General Information of the Compound
| Compound ID |
CP0150373
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2E)-3-(3-bromo-4,5-dihydroxyphenyl)-2-{[(1E)-2-(3-bromo-4,5-dihydroxyphenyl)-1-cyanoeth-1-ene-1-]sulfonyl}prop-2-enenitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H10Br2N2O6S
|
||||||||||||||||||
| Molecular Weight |
542.161
|
||||||||||||||||||
| Canonical SMILES |
Oc1cc(\C=C(/C#N)S(=O)(=O)C(=C\c2cc(O)c(O)c(Br)c2)\C#N)cc(Br)c1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H10Br2N2O6S/c19-13-3-9(5-15(23)17(13)25)1-11(7-21)29(27,28)12(8-22)2-10-4-14(20)18(26)16(24)6-10/h1-6,23-26H/b11-1+,12-2+
Show/Hide
|
||||||||||||||||||
| InChIKey |
VBOBOVYYRHVGSJ-NJDSBKIZSA-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