General Information of the Compound
| Compound ID |
CP0536058
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-Fluoro-phenyl)-3-(hydroxy-methyl-amino)-1-(4-methylsulfanyl-phenyl)-propenone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H16FNO2S
|
||||||||||||||||||
| Molecular Weight |
317.385
|
||||||||||||||||||
| Canonical SMILES |
CSc1ccc(cc1)C(=O)C(=C/N(C)O)\c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H16FNO2S/c1-19(21)11-16(12-3-7-14(18)8-4-12)17(20)13-5-9-15(22-2)10-6-13/h3-11,21H,1-2H3/b16-11-
Show/Hide
|
||||||||||||||||||
| InChIKey |
AYPVJHFCKLMPPI-WJDWOHSUSA-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