General Information of the Compound
| Compound ID |
CP0864455
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-cyclohexylmethyl-3-cyclopentyl-N-{2-[3-endo-(3-hydroxyphenyl)-8-aza-bicyclo[3.2.1]oct-8-yl]ethyl}propionamide
Show/Hide
|
||||||||||||||||||
| Formula |
C30H46N2O2
|
||||||||||||||||||
| Molecular Weight |
466.71
|
||||||||||||||||||
| Canonical SMILES |
O=C(CCC1CCCC1)N(CCN1[C@@H]2CC[C@H]1C[C@@H](c1cccc(O)c1)C2)CC1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H46N2O2/c33-29-12-6-11-25(21-29)26-19-27-14-15-28(20-26)32(27)18-17-31(22-24-9-2-1-3-10-24)30(34)16-13-23-7-4-5-8-23/h6,11-12,21,23-24,26-28,33H,1-5,7-10,13-20,22H2/t26-,27+,28-
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZILSDCUVHKWQBO-OUOZDZGXSA-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