General Information of the Compound
| Compound ID |
CP0127782
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[exo-8-[Bis(2-chlorophenyl)methyl]-8-azabicyclo[3.2.1]oct-3-yl]-1-piperidineacetonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H31Cl2N3
|
||||||||||||||||||
| Molecular Weight |
468.472
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccccc1C(N1[C@H]2CC[C@H]1CC(C2)C1CCCCN1CC#N)c1ccccc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H31Cl2N3/c28-24-9-3-1-7-22(24)27(23-8-2-4-10-25(23)29)32-20-12-13-21(32)18-19(17-20)26-11-5-6-15-31(26)16-14-30/h1-4,7-10,19-21,26-27H,5-6,11-13,15-18H2/t20-,21-,26?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OGIJRHBALHRLTO-IPEYFGQDSA-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