General Information of the Compound
| Compound ID |
CP0430906
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-Benzyl-1-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-1-ethyl-urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H37N3O
|
||||||||||||||||||
| Molecular Weight |
455.646
|
||||||||||||||||||
| Canonical SMILES |
CCN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)NCc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H37N3O/c1-2-33(30(34)31-24-25-12-6-3-7-13-25)28-18-21-32(22-19-28)23-20-29(26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17,28-29H,2,18-24H2,1H3,(H,31,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SIVKXCGNYRNTBX-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