General Information of the Compound
| Compound ID |
CP0400241
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3-chlorophenyl)-3-[(2E)-3,7-dimethylocta-2,6-dienyl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H23ClN2O
|
||||||||||||||||||
| Molecular Weight |
306.837
|
||||||||||||||||||
| Canonical SMILES |
CC(C)=CCC\C(C)=C\CNC(=O)Nc1cccc(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H23ClN2O/c1-13(2)6-4-7-14(3)10-11-19-17(21)20-16-9-5-8-15(18)12-16/h5-6,8-10,12H,4,7,11H2,1-3H3,(H2,19,20,21)/b14-10+
Show/Hide
|
||||||||||||||||||
| InChIKey |
LNQRODZZUIGSIQ-GXDHUFHOSA-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
Protein ID: PT02148, Transient receptor potential cation channel subfamily A member 1
Protein ID: PT05529, Transient receptor potential cation channel subfamily M member 8
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1