General Information of the Compound
| Compound ID |
CP0534382
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[[2-[(4-benzylpiperidin-1-yl)methyl]phenyl]methyl]-3-(4-methoxyphenyl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H33N3O2
|
||||||||||||||||||
| Molecular Weight |
443.591
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(NC(=O)NCc2ccccc2CN2CCC(Cc3ccccc3)CC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H33N3O2/c1-33-27-13-11-26(12-14-27)30-28(32)29-20-24-9-5-6-10-25(24)21-31-17-15-23(16-18-31)19-22-7-3-2-4-8-22/h2-14,23H,15-21H2,1H3,(H2,29,30,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ONGGWTQHNBNSPL-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