General Information of the Compound
| Compound ID |
CP0457754
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[3-[(3-nitrophenyl)-phenylmethoxy]propyl]-1H-imidazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H19N3O3
|
||||||||||||||||||
| Molecular Weight |
337.379
|
||||||||||||||||||
| Canonical SMILES |
[O-][N+](=O)c1cccc(c1)C(OCCCc1c[nH]cn1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H19N3O3/c23-22(24)18-10-4-8-16(12-18)19(15-6-2-1-3-7-15)25-11-5-9-17-13-20-14-21-17/h1-4,6-8,10,12-14,19H,5,9,11H2,(H,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CRTYYKOCTYXVIC-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