General Information of the Compound
| Compound ID |
CP0395852
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2Z)-2-[[1-[(3-bromophenyl)methyl]-5-methoxyindol-3-yl]methylidene]-4,6-dihydroxy-1-benzofuran-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H18BrNO5
|
||||||||||||||||||
| Molecular Weight |
492.325
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2n(Cc3cccc(Br)c3)cc(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H18BrNO5/c1-31-18-5-6-20-19(11-18)15(13-27(20)12-14-3-2-4-16(26)7-14)8-23-25(30)24-21(29)9-17(28)10-22(24)32-23/h2-11,13,28-29H,12H2,1H3/b23-8-
Show/Hide
|
||||||||||||||||||
| InChIKey |
SIMSFCJSWMVLNH-NYAPKIOYSA-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