General Information of the Compound
| Compound ID |
CP0434889
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 7-[2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-oxo-3,4-dihydrochromene-3-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H23NO6
|
||||||||||||||||||
| Molecular Weight |
421.449
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)C1Cc2ccc(OCCc3nc(oc3C)-c3cccc(C)c3)cc2OC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H23NO6/c1-14-5-4-6-17(11-14)22-25-20(15(2)30-22)9-10-29-18-8-7-16-12-19(23(26)28-3)24(27)31-21(16)13-18/h4-8,11,13,19H,9-10,12H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DHWHGZTWBWPUBI-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
Protein ID: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma