General Information of the Compound
| Compound ID |
CP0050824
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(1R,3S)-3-hydroxycyclohexyl]-4-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H19F3N2O4
|
||||||||||||||||||
| Molecular Weight |
384.354
|
||||||||||||||||||
| Canonical SMILES |
OCc1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)N[C@@H]1CCC[C@H](O)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H19F3N2O4/c19-18(20,21)11-6-4-10(5-7-11)16-14(9-24)15(23-27-16)17(26)22-12-2-1-3-13(25)8-12/h4-7,12-13,24-25H,1-3,8-9H2,(H,22,26)/t12-,13+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GIJZJSDRDUSCSE-OLZOCXBDSA-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