General Information of the Compound
| Compound ID |
CP0961896
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-fluoro-2-(4-(4-nitrophenyl)thiazol-2-yl)isoindoline-1,3-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H8FN3O4S
|
||||||||||||||||||
| Molecular Weight |
369.333
|
||||||||||||||||||
| Canonical SMILES |
O=C1c2ccc(F)cc2C(=O)N1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H8FN3O4S/c18-10-3-6-12-13(7-10)16(23)20(15(12)22)17-19-14(8-26-17)9-1-4-11(5-2-9)21(24)25/h1-8H
Show/Hide
|
||||||||||||||||||
| InChIKey |
HZAPBHCJZQBKNX-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