General Information of the Compound
| Compound ID |
CP0400529
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-((1H-Imidazol-4-yl)methyl)-1-(4-nitrophenyl)piperidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H18N4O2
|
||||||||||||||||||
| Molecular Weight |
286.335
|
||||||||||||||||||
| Canonical SMILES |
[O-][N+](=O)c1ccc(cc1)N1CCC(Cc2cnc[nH]2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H18N4O2/c20-19(21)15-3-1-14(2-4-15)18-7-5-12(6-8-18)9-13-10-16-11-17-13/h1-4,10-12H,5-9H2,(H,16,17)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UWQJLRSDWKXACT-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