General Information of the Compound
| Compound ID |
CP0546034
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(4-bromo-2-fluorophenyl)-2-[6-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]naphthalen-2-yl]oxyacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H14BrFN2O4S
|
||||||||||||||||||
| Molecular Weight |
501.333
|
||||||||||||||||||
| Canonical SMILES |
Fc1cc(Br)ccc1NC(=O)COc1ccc2cc(\C=C3\SC(=O)NC3=O)ccc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H14BrFN2O4S/c23-15-4-6-18(17(24)10-15)25-20(27)11-30-16-5-3-13-7-12(1-2-14(13)9-16)8-19-21(28)26-22(29)31-19/h1-10H,11H2,(H,25,27)(H,26,28,29)/b19-8+
Show/Hide
|
||||||||||||||||||
| InChIKey |
VFAYPWCMGURCSZ-UFWORHAWSA-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 | |||||||||||||||||||
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