General Information of the Compound
| Compound ID |
CP0851300
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-endo-(8-{2-[(2-cyclohexylethyl)-(2-hydroxyacetyl)amino]ethyl}-8-aza-bicyclo[3.2.1]oct-3-yl)-benzamide
Show/Hide
|
||||||||||||||||||
| Formula |
C26H39N3O3
|
||||||||||||||||||
| Molecular Weight |
441.616
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)c1cccc([C@H]2C[C@H]3CC[C@@H](C2)N3CCN(CCC2CCCCC2)C(=O)CO)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H39N3O3/c27-26(32)21-8-4-7-20(15-21)22-16-23-9-10-24(17-22)29(23)14-13-28(25(31)18-30)12-11-19-5-2-1-3-6-19/h4,7-8,15,19,22-24,30H,1-3,5-6,9-14,16-18H2,(H2,27,32)/t22-,23+,24-
Show/Hide
|
||||||||||||||||||
| InChIKey |
MQGTUTVPVSRRMH-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