General Information of the Compound
| Compound ID |
CP0864930
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
cyclohexanecarboxylic acid cyclohexylmethyl-{2-[3-endo-(3-hydroxy-phenyl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}amide
Show/Hide
|
||||||||||||||||||
| Formula |
C29H44N2O2
|
||||||||||||||||||
| Molecular Weight |
452.683
|
||||||||||||||||||
| Canonical SMILES |
O=C(C1CCCCC1)N(CCN1[C@@H]2CC[C@H]1C[C@@H](c1cccc(O)c1)C2)CC1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H44N2O2/c32-28-13-7-12-24(20-28)25-18-26-14-15-27(19-25)31(26)17-16-30(21-22-8-3-1-4-9-22)29(33)23-10-5-2-6-11-23/h7,12-13,20,22-23,25-27,32H,1-6,8-11,14-19,21H2/t25-,26+,27-
Show/Hide
|
||||||||||||||||||
| InChIKey |
DKYJPWSZAUPZNF-LGKQTMLJSA-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: PT01188, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor