General Information of the Compound
| Compound ID |
CP0390923
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-(4-phenylpiperidin-1-yl)ethyl)pent-4-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H30F6N2O
|
||||||||||||||||||
| Molecular Weight |
512.538
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cc(CNC(=O)[C@@H](CCN2CCC(CC2)c2ccccc2)CC=C)cc(c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H30F6N2O/c1-2-6-22(11-14-35-12-9-21(10-13-35)20-7-4-3-5-8-20)25(36)34-18-19-15-23(26(28,29)30)17-24(16-19)27(31,32)33/h2-5,7-8,15-17,21-22H,1,6,9-14,18H2,(H,34,36)/t22-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RUKNNWQAGKCTJS-JOCHJYFZSA-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