General Information of the Compound
Compound ID
CP0938366
Compound Name
1-(6-(3-ethoxyphenyl)-3-methylbicyclo[3.1.0]hexan-6-yl)-4-phenylpiperazine
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Structure
Formula
C25H32N2O
Molecular Weight
376.544
Canonical SMILES
CCOc1cccc(C2(N3CCN(c4ccccc4)CC3)C3CC(C)CC32)c1
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InChI
InChI=1S/C25H32N2O/c1-3-28-22-11-7-8-20(18-22)25(23-16-19(2)17-24(23)25)27-14-12-26(13-15-27)21-9-5-4-6-10-21/h4-11,18-19,23-24H,3,12-17H2,1-2H3
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InChIKey
DGKRBMRQJKMPSE-UHFFFAOYSA-N
Physicochemical Property
logP
4.7787
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
15.71
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
28

"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).

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PubChem ID
CID: 73353533
ChEMBL ID
CHEMBL2397299
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: PT02259, Neuropeptide Y receptor type 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000074 SK-N-MC Homo sapiens (Human)  1
1
IC50 = 62 nM
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