General Information of the Compound
| Compound ID |
CP0447478
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2Z)-2-[(5-bromo-1-butylindol-3-yl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H18BrNO4
|
||||||||||||||||||
| Molecular Weight |
428.282
|
||||||||||||||||||
| Canonical SMILES |
CCCCn1cc(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2cc(Br)ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H18BrNO4/c1-2-3-6-23-11-12(15-8-13(22)4-5-16(15)23)7-19-21(26)20-17(25)9-14(24)10-18(20)27-19/h4-5,7-11,24-25H,2-3,6H2,1H3/b19-7-
Show/Hide
|
||||||||||||||||||
| InChIKey |
WWJJWRURBBYWDQ-GXHLCREISA-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