General Information of the Compound
| Compound ID |
CP0401978
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-Oxo-2-[4-((E)-2-quinolin-2-yl-vinyl)-phenyl]-4H-chromene-8-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H17NO4
|
||||||||||||||||||
| Molecular Weight |
419.436
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1cccc2c1oc(cc2=O)-c1ccc(\C=C\c2ccc3ccccc3n2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H17NO4/c29-24-16-25(32-26-21(24)5-3-6-22(26)27(30)31)19-11-8-17(9-12-19)10-14-20-15-13-18-4-1-2-7-23(18)28-20/h1-16H,(H,30,31)/b14-10+
Show/Hide
|
||||||||||||||||||
| InChIKey |
BXKLQYGWQGOBDG-GXDHUFHOSA-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