General Information of the Compound
| Compound ID |
CP0036109
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-methyl-N-[3-(1-{3-[3-(trifluoromethyl)phenoxy]benzyl}-4-piperidinyl)phenyl]-propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H31F3N2O2
|
||||||||||||||||||
| Molecular Weight |
496.573
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C(=O)Nc1cccc(c1)C1CCN(Cc2cccc(Oc3cccc(c3)C(F)(F)F)c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H31F3N2O2/c1-20(2)28(35)33-25-9-4-7-23(17-25)22-12-14-34(15-13-22)19-21-6-3-10-26(16-21)36-27-11-5-8-24(18-27)29(30,31)32/h3-11,16-18,20,22H,12-15,19H2,1-2H3,(H,33,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RQFGRKWTNDBOJO-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