General Information of the Compound
| Compound ID |
CP0421879
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-bromo-2-[(4-ethoxy-1,3-dioxoisoindol-2-yl)methyl]phenyl]pyridine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H18BrN3O4
|
||||||||||||||||||
| Molecular Weight |
480.318
|
||||||||||||||||||
| Canonical SMILES |
CCOc1cccc2C(=O)N(Cc3cc(Br)ccc3NC(=O)c3ccccn3)C(=O)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H18BrN3O4/c1-2-31-19-8-5-6-16-20(19)23(30)27(22(16)29)13-14-12-15(24)9-10-17(14)26-21(28)18-7-3-4-11-25-18/h3-12H,2,13H2,1H3,(H,26,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FPLBAZPQICLDPO-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