General Information of the Compound
| Compound ID |
CP0478872
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-oxo-7-phenylmethoxychromene-3-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H12O5
|
||||||||||||||||||
| Molecular Weight |
296.278
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1cc2ccc(OCc3ccccc3)cc2oc1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H12O5/c18-16(19)14-8-12-6-7-13(9-15(12)22-17(14)20)21-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,18,19)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LDBVFHSYVJZKOL-UHFFFAOYSA-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