General Information of the Compound
| Compound ID |
CP0460210
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Phenyl-5-trifluoromethyloxazole-4-carboxylic Acid{6-[(2-Methoxyethyl)methylamino]pyridin-3-yl}methylamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21F3N4O3
|
||||||||||||||||||
| Molecular Weight |
434.418
|
||||||||||||||||||
| Canonical SMILES |
COCCN(C)c1ccc(cn1)N(C)C(=O)c1nc(oc1C(F)(F)F)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21F3N4O3/c1-27(11-12-30-3)16-10-9-15(13-25-16)28(2)20(29)17-18(21(22,23)24)31-19(26-17)14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KHEJZFBZRLILEN-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