General Information of the Compound
| Compound ID |
CP0247543
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[[4-(4-chlorophenyl)phenyl]methyl]-3-[4-(piperidin-1-ylmethyl)phenyl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H28ClN3O
|
||||||||||||||||||
| Molecular Weight |
433.983
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(cc1)-c1ccc(CNC(=O)Nc2ccc(CN3CCCCC3)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H28ClN3O/c27-24-12-10-23(11-13-24)22-8-4-20(5-9-22)18-28-26(31)29-25-14-6-21(7-15-25)19-30-16-2-1-3-17-30/h4-15H,1-3,16-19H2,(H2,28,29,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PNEQLTWPDVHRRF-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