General Information of the Compound
| Compound ID |
CP0858828
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-endo-{8-[3-(acetylcyclohexylmethylamino)-propyl]-8-azabicyclo[3.2.1]oct-3-yl}benzamide
Show/Hide
|
||||||||||||||||||
| Formula |
C26H39N3O2
|
||||||||||||||||||
| Molecular Weight |
425.617
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N(CCCN1[C@@H]2CC[C@H]1C[C@@H](c1cccc(C(N)=O)c1)C2)CC1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H39N3O2/c1-19(30)28(18-20-7-3-2-4-8-20)13-6-14-29-24-11-12-25(29)17-23(16-24)21-9-5-10-22(15-21)26(27)31/h5,9-10,15,20,23-25H,2-4,6-8,11-14,16-18H2,1H3,(H2,27,31)/t23-,24+,25-
Show/Hide
|
||||||||||||||||||
| InChIKey |
UIEJLBLSVRXOJC-QEIWAGNOSA-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