General Information of the Compound
| Compound ID |
CP0575977
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[3-[(E)-2-nitroethenyl]phenoxy]pyrimidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H9N3O3
|
||||||||||||||||||
| Molecular Weight |
243.222
|
||||||||||||||||||
| Canonical SMILES |
[O-][N+](=O)\C=C\c1cccc(Oc2ncccn2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H9N3O3/c16-15(17)8-5-10-3-1-4-11(9-10)18-12-13-6-2-7-14-12/h1-9H/b8-5+
Show/Hide
|
||||||||||||||||||
| InChIKey |
HKFMFNDRXJZJBV-VMPITWQZSA-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 | |||||||||||||||||||
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
Protein ID: PT04438, Toll-like receptor 2
Protein ID: PT03343, Toll-like receptor 4