General Information of the Compound
Compound ID
CP0261849
Compound Name
N-[(2S)-2-(4-benzylpiperidin-1-yl)propyl]-N-phenylpropanamide
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Structure
Formula
C24H32N2O
Molecular Weight
364.533
Canonical SMILES
CCC(=O)N(C[C@H](C)N1CCC(Cc2ccccc2)CC1)c1ccccc1
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InChI
InChI=1S/C24H32N2O/c1-3-24(27)26(23-12-8-5-9-13-23)19-20(2)25-16-14-22(15-17-25)18-21-10-6-4-7-11-21/h4-13,20,22H,3,14-19H2,1-2H3/t20-/m0/s1
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InChIKey
PABZPWFOALFERZ-FQEVSTJZSA-N
Physicochemical Property
logP
4.7728
Rotatable Bonds
7
Heavy Atom Count
27
Polar Areas
23.55
Hydrogen Bond Donor Count
0
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).

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PubChem ID
CID: 156782580
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
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 0.73 nM
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