General Information of the Compound
| Compound ID |
CP0498682
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(cyclobutylamino)methyl]-N-[(1R,3S)-3-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H26F3N3O3
|
||||||||||||||||||
| Molecular Weight |
437.462
|
||||||||||||||||||
| Canonical SMILES |
O[C@H]1CCC[C@H](C1)NC(=O)c1noc(c1CNC1CCC1)-c1ccc(cc1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H26F3N3O3/c23-22(24,25)14-9-7-13(8-10-14)20-18(12-26-15-3-1-4-15)19(28-31-20)21(30)27-16-5-2-6-17(29)11-16/h7-10,15-17,26,29H,1-6,11-12H2,(H,27,30)/t16-,17+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KHLPCHISMUVCSM-SJORKVTESA-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