General Information of the Compound
| Compound ID |
CP0505306
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(1-(cyclooctenylmethyl)piperidin-4-yl)-3-(4-phenoxyphenyl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H35N3O2
|
||||||||||||||||||
| Molecular Weight |
433.596
|
||||||||||||||||||
| Canonical SMILES |
O=C(NC1CCN(C\C2=C\CCCCCC2)CC1)Nc1ccc(Oc2ccccc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H35N3O2/c31-27(28-23-13-15-26(16-14-23)32-25-11-7-4-8-12-25)29-24-17-19-30(20-18-24)21-22-9-5-2-1-3-6-10-22/h4,7-9,11-16,24H,1-3,5-6,10,17-21H2,(H2,28,29,31)/b22-9+
Show/Hide
|
||||||||||||||||||
| InChIKey |
XAEAVYKECCXTFL-LSFURLLWSA-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