General Information of the Compound
Compound ID
CP0334146
Compound Name
8-[1-(4-fluorophenyl)cyclohexyl]-4-propyl-2,8-diazaspiro[4.5]decan-1-one
    Show/Hide
Structure
Formula
C23H33FN2O
Molecular Weight
372.528
Canonical SMILES
CCCC1CNC(=O)C11CCN(CC1)C1(CCCCC1)c1ccc(F)cc1
    Show/Hide
InChI
InChI=1S/C23H33FN2O/c1-2-6-19-17-25-21(27)22(19)13-15-26(16-14-22)23(11-4-3-5-12-23)18-7-9-20(24)10-8-18/h7-10,19H,2-6,11-17H2,1H3,(H,25,27)
    Show/Hide
InChIKey
YGXIRUYGAMKSJZ-UHFFFAOYSA-N
Physicochemical Property
logP
4.6134
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
32.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
27

"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
PubChem ID
CID: 44414876
ChEMBL ID
CHEMBL214057
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: PT01515, Mu-type opioid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000051 BHK-21 Mesocricetus auratus (Golden hamster)  1
1
IC50 = 3030 nM
   TI
   LI
   LO
   TS