General Information of the Compound
| Compound ID |
CP0462433
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N'-(3-bromo-4-fluorophenyl)-4-[2-[[ethoxy(ethyl)phosphoryl]amino]ethylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H21BrFN6O4P
|
||||||||||||||||||
| Molecular Weight |
479.247
|
||||||||||||||||||
| Canonical SMILES |
CCOP(=O)(CC)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H21BrFN6O4P/c1-3-26-28(25,4-2)19-8-7-18-14-13(22-27-23-14)15(21-24)20-10-5-6-12(17)11(16)9-10/h5-6,9,24H,3-4,7-8H2,1-2H3,(H,18,23)(H,19,25)(H,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JMUQGCMUIAFBTI-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