General Information of the Compound
| Compound ID |
CP0255370
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N,N-diethyl-4-[[8-[2-(4-fluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ylidene]-phenylmethyl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H37FN2O
|
||||||||||||||||||
| Molecular Weight |
496.67
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)C(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2CCc1ccc(F)cc1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H37FN2O/c1-3-35(4-2)33(37)27-14-12-26(13-15-27)32(25-8-6-5-7-9-25)28-22-30-18-19-31(23-28)36(30)21-20-24-10-16-29(34)17-11-24/h5-17,30-31H,3-4,18-23H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
USDNSHPCUINRQT-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