General Information of the Compound
| Compound ID |
CP0161795
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N,N-diethyl-4-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]-phenylmethyl]benzamide
Show/Hide
|
||||||||||||||||||
| Formula |
C26H32N2O
|
||||||||||||||||||
| Molecular Weight |
388.555
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)C(=O)c1ccc(cc1)C(=C1\C[C@@H]2CC[C@H](C1)N2C)\c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H32N2O/c1-4-28(5-2)26(29)21-13-11-20(12-14-21)25(19-9-7-6-8-10-19)22-17-23-15-16-24(18-22)27(23)3/h6-14,23-24H,4-5,15-18H2,1-3H3/b25-22-/t23-,24+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
INMXXSMLCGOQDR-LJSCUKOSSA-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 | |||||||||||||||||||
| 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