General Information of the Compound
| Compound ID |
CP0942320
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
cis-N-benzyl-1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperidine-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H39FN2O
|
||||||||||||||||||
| Molecular Weight |
450.642
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)C1CCC(N2CCC(C(=O)NCc3ccccc3)(c3ccccc3F)CC2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H39FN2O/c1-28(2,3)23-13-15-24(16-14-23)32-19-17-29(18-20-32,25-11-7-8-12-26(25)30)27(33)31-21-22-9-5-4-6-10-22/h4-12,23-24H,13-21H2,1-3H3,(H,31,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
POPQHMZLMOVMIG-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