General Information of the Compound
| Compound ID |
CP0552669
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[(3S)-1-methylsulfonylpiperidin-3-yl]methylamino]-1,2,5-oxadiazole-3-carboximidamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H20BrFN6O4S
|
||||||||||||||||||
| Molecular Weight |
491.343
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)N1CCC[C@@H](CNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H20BrFN6O4S/c1-29(26,27)24-6-2-3-10(9-24)8-19-15-14(22-28-23-15)16(21-25)20-11-4-5-13(18)12(17)7-11/h4-5,7,10,25H,2-3,6,8-9H2,1H3,(H,19,23)(H,20,21)/t10-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RDYSCDNIOXVFKA-JTQLQIEISA-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