General Information of the Compound
| Compound ID |
CP0376674
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-cyclohexyl-4-spiro[indene-1,4'-piperidine]-1'-ylbutanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H36F6N2O
|
||||||||||||||||||
| Molecular Weight |
578.641
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cc(CNC(=O)C(CCN2CCC3(CC2)C=Cc2ccccc32)C2CCCCC2)cc(c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H36F6N2O/c33-31(34,35)25-18-22(19-26(20-25)32(36,37)38)21-39-29(41)27(23-6-2-1-3-7-23)11-15-40-16-13-30(14-17-40)12-10-24-8-4-5-9-28(24)30/h4-5,8-10,12,18-20,23,27H,1-3,6-7,11,13-17,21H2,(H,39,41)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GKIYQHDLNRLZLS-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