General Information of the Compound
| Compound ID |
CP0906680
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(rel)-N-((8-(bis(2-chlorophenyl)methyl)-3-(pyridin-2-yl)-8-aza-bicyclo[3.2.1]octan-3-yl)methyl)acetamide
Show/Hide
|
||||||||||||||||||
| Formula |
C28H29Cl2N3O
|
||||||||||||||||||
| Molecular Weight |
494.466
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)NC[C@@]1(c2ccccn2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H29Cl2N3O/c1-19(34)32-18-28(26-12-6-7-15-31-26)16-20-13-14-21(17-28)33(20)27(22-8-2-4-10-24(22)29)23-9-3-5-11-25(23)30/h2-12,15,20-21,27H,13-14,16-18H2,1H3,(H,32,34)/t20-,21+,28-
Show/Hide
|
||||||||||||||||||
| InChIKey |
GRJYWHVHJJCBMS-XKSFVOKXSA-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
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor