General Information of the Compound
| Compound ID |
CP0469059
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-chloro-N-(3-hydroxypropyl)-5-(4-(trifluoromethyl)phenyl)isoxazole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H12ClF3N2O3
|
||||||||||||||||||
| Molecular Weight |
348.708
|
||||||||||||||||||
| Canonical SMILES |
OCCCNC(=O)c1noc(c1Cl)-c1ccc(cc1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H12ClF3N2O3/c15-10-11(13(22)19-6-1-7-21)20-23-12(10)8-2-4-9(5-3-8)14(16,17)18/h2-5,21H,1,6-7H2,(H,19,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UJOSGWHRTMRQKI-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