General Information of the Compound
| Compound ID |
CP0531016
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4,8-dimethyl-7-[(3-methylphenyl)methoxy]-2-oxochromen-3-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H20O5
|
||||||||||||||||||
| Molecular Weight |
352.386
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(COc2ccc3c(C)c(CC(O)=O)c(=O)oc3c2C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20O5/c1-12-5-4-6-15(9-12)11-25-18-8-7-16-13(2)17(10-19(22)23)21(24)26-20(16)14(18)3/h4-9H,10-11H2,1-3H3,(H,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
POIPWHYIHJJYAK-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