General Information of the Compound
| Compound ID |
CP0474612
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,3S)-2-[bis(4-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H30Cl2N2O
|
||||||||||||||||||
| Molecular Weight |
481.467
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H30Cl2N2O/c1-33-25-5-3-2-4-22(25)18-31-27-21-14-16-32(17-15-21)28(27)26(19-6-10-23(29)11-7-19)20-8-12-24(30)13-9-20/h2-13,21,26-28,31H,14-18H2,1H3/t27-,28-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WCOQELYASVJLJH-NSOVKSMOSA-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