General Information of the Compound
| Compound ID |
CP0087418
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-((3-(3-fluoro-4-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)methyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H11F4N3O3
|
||||||||||||||||||
| Molecular Weight |
345.252
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1F)C1=NOC(Cc2noc(n2)C(F)(F)F)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H11F4N3O3/c1-22-11-3-2-7(4-9(11)15)10-5-8(23-20-10)6-12-19-13(24-21-12)14(16,17)18/h2-4,8H,5-6H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
CHYKGAOLCGVTFR-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