General Information of the Compound
| Compound ID |
CP0262600
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N'-(3-bromo-4-fluorophenyl)-4-[2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H15BrFN7O4S
|
||||||||||||||||||
| Molecular Weight |
464.277
|
||||||||||||||||||
| Canonical SMILES |
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCN1CCNS1(=O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H15BrFN7O4S/c14-9-7-8(1-2-10(9)15)18-13(19-23)11-12(21-26-20-11)16-3-5-22-6-4-17-27(22,24)25/h1-2,7,17,23H,3-6H2,(H,16,21)(H,18,19)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ALBHKCMRPQCXLJ-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