General Information of the Compound
| Compound ID |
CP0922385
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4-(4-Imidazol-1-yl-phenoxymethyl)-benzyl]-piperidine oxalate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H27N3O5
|
||||||||||||||||||
| Molecular Weight |
437.496
|
||||||||||||||||||
| Canonical SMILES |
O=C(O)C(=O)O.c1cn(-c2ccc(OCc3ccc(CN4CCCCC4)cc3)cc2)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25N3O.C2H2O4/c1-2-13-24(14-3-1)16-19-4-6-20(7-5-19)17-26-22-10-8-21(9-11-22)25-15-12-23-18-25;3-1(4)2(5)6/h4-12,15,18H,1-3,13-14,16-17H2;(H,3,4)(H,5,6)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NBXLVKXFMQFVSZ-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