General Information of the Compound
| Compound ID |
CP0375501
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-Ethyl-4-trifluoromethyl-5,6,7,8-tetrahydro-1-oxa-8-aza-anthracen-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H14F3NO2
|
||||||||||||||||||
| Molecular Weight |
297.276
|
||||||||||||||||||
| Canonical SMILES |
CCC1CCNc2cc3oc(=O)cc(c3cc12)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H14F3NO2/c1-2-8-3-4-19-12-7-13-10(5-9(8)12)11(15(16,17)18)6-14(20)21-13/h5-8,19H,2-4H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
FVNZFSAGJPHSHT-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