General Information of the Compound
| Compound ID |
CP0869856
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Exo-8-[bis(2-chlorophenyl)methyl]-3-(5-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octane
Show/Hide
|
||||||||||||||||||
| Formula |
C26H26Cl2N2
|
||||||||||||||||||
| Molecular Weight |
437.414
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc([C@H]2C[C@H]3CC[C@@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H26Cl2N2/c1-17-10-13-25(29-16-17)18-14-19-11-12-20(15-18)30(19)26(21-6-2-4-8-23(21)27)22-7-3-5-9-24(22)28/h2-10,13,16,18-20,26H,11-12,14-15H2,1H3/t18-,19+,20-
Show/Hide
|
||||||||||||||||||
| InChIKey |
AHDNWXVTMGBATC-ACDBMABISA-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
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor