General Information of the Compound
| Compound ID |
CP0913922
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-benzyl-N-{2-[3-endo-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]oct-8-yl]-ethyl}succinamic acid methylester
Show/Hide
|
||||||||||||||||||
| Formula |
C27H34N2O4
|
||||||||||||||||||
| Molecular Weight |
450.579
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)CCC(=O)N(CCN1[C@@H]2CC[C@H]1C[C@@H](c1cccc(O)c1)C2)Cc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H34N2O4/c1-33-27(32)13-12-26(31)28(19-20-6-3-2-4-7-20)14-15-29-23-10-11-24(29)17-22(16-23)21-8-5-9-25(30)18-21/h2-9,18,22-24,30H,10-17,19H2,1H3/t22-,23+,24-
Show/Hide
|
||||||||||||||||||
| InChIKey |
WHGWOZSCVJJBTG-BKFWDETESA-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