General Information of the Compound
| Compound ID |
CP0444446
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3-chlorophenyl)-3-(1-(cyclooctenylmethyl)piperidin-4-yl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H30ClN3O
|
||||||||||||||||||
| Molecular Weight |
375.944
|
||||||||||||||||||
| Canonical SMILES |
Clc1cccc(NC(=O)NC2CCN(C\C3=C\CCCCCC3)CC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H30ClN3O/c22-18-9-6-10-20(15-18)24-21(26)23-19-11-13-25(14-12-19)16-17-7-4-2-1-3-5-8-17/h6-7,9-10,15,19H,1-5,8,11-14,16H2,(H2,23,24,26)/b17-7+
Show/Hide
|
||||||||||||||||||
| InChIKey |
SPQPODPZFDOOOD-REZTVBANSA-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