General Information of the Compound
| Compound ID |
CP0507757
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-methyl-3-phenyl-6-(4-propylphenyl)isoxazolo[4,5-c]pyridin-4(5H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H20N2O2
|
||||||||||||||||||
| Molecular Weight |
344.414
|
||||||||||||||||||
| Canonical SMILES |
CCCc1ccc(cc1)-c1cc2onc(-c3ccccc3)c2c(=O)n1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H20N2O2/c1-3-7-15-10-12-16(13-11-15)18-14-19-20(22(25)24(18)2)21(23-26-19)17-8-5-4-6-9-17/h4-6,8-14H,3,7H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NRGQTIMDGBRDBQ-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