General Information of the Compound
| Compound ID |
CP0557704
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4868014
Show/Hide
|
||||||||||||||||||
| Formula |
C12H10BrF3N2O3
|
||||||||||||||||||
| Molecular Weight |
367.121
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)C(=N/Nc1ccc(Br)cc1)\C(=O)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H10BrF3N2O3/c1-2-21-11(20)9(10(19)12(14,15)16)18-17-8-5-3-7(13)4-6-8/h3-6,17H,2H2,1H3/b18-9-
Show/Hide
|
||||||||||||||||||
| InChIKey |
STBKQHPFABRPSI-NVMNQCDNSA-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 | |||||||||||||||||||
| 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