General Information of the Compound
| Compound ID |
CP0297675
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(cyclopropylamino)methyl]-N-[(1R,3S)-3-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H24F3N3O3
|
||||||||||||||||||
| Molecular Weight |
423.435
|
||||||||||||||||||
| Canonical SMILES |
O[C@H]1CCC[C@H](C1)NC(=O)c1noc(c1CNC1CC1)-c1ccc(cc1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H24F3N3O3/c22-21(23,24)13-6-4-12(5-7-13)19-17(11-25-14-8-9-14)18(27-30-19)20(29)26-15-2-1-3-16(28)10-15/h4-7,14-16,25,28H,1-3,8-11H2,(H,26,29)/t15-,16+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PGQSHZSSOJRXEF-CVEARBPZSA-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