General Information of the Compound
| Compound ID |
CP0534052
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-methoxyphenyl)-5-methyl-6-phenylisoxazolo[4,5-c]pyridin-4(5H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H16N2O3
|
||||||||||||||||||
| Molecular Weight |
332.359
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)-c1noc2cc(-c3ccccc3)n(C)c(=O)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H16N2O3/c1-22-16(13-6-4-3-5-7-13)12-17-18(20(22)23)19(21-25-17)14-8-10-15(24-2)11-9-14/h3-12H,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
LWWQDJCKHLPQAP-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