General Information of the Compound
| Compound ID |
CP0501067
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3,5-bis(trifluoromethyl)phenyl)-3-(1-(cyclooctenylmethyl)piperidin-4-yl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H29F6N3O
|
||||||||||||||||||
| Molecular Weight |
477.493
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cc(NC(=O)NC2CCN(C\C3=C\CCCCCC3)CC2)cc(c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H29F6N3O/c24-22(25,26)17-12-18(23(27,28)29)14-20(13-17)31-21(33)30-19-8-10-32(11-9-19)15-16-6-4-2-1-3-5-7-16/h6,12-14,19H,1-5,7-11,15H2,(H2,30,31,33)/b16-6+
Show/Hide
|
||||||||||||||||||
| InChIKey |
MFLVFGPYDWXLES-OMCISZLKSA-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