General Information of the Compound
| Compound ID |
CP0179038
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3aR,7aR)-3-[4-nitro-2-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-1,2-benzoxazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H13F3N2O3
|
||||||||||||||||||
| Molecular Weight |
314.263
|
||||||||||||||||||
| Canonical SMILES |
[O-][N+](=O)c1ccc(C2=NO[C@@H]3CCCC[C@H]23)c(c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H13F3N2O3/c15-14(16,17)11-7-8(19(20)21)5-6-9(11)13-10-3-1-2-4-12(10)22-18-13/h5-7,10,12H,1-4H2/t10-,12+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RIYAZEGHCJEQPR-CMPLNLGQSA-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