General Information of the Compound
Compound ID
CP0509858
Compound Name
N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-N-methyl-2-oxo-2-phenylacetamide
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Structure
Formula
C29H32N2O2
Molecular Weight
440.587
Canonical SMILES
CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)C(=O)c1ccccc1
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InChI
InChI=1S/C29H32N2O2/c1-30(29(33)28(32)25-15-9-4-10-16-25)26-17-20-31(21-18-26)22-19-27(23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-16,26-27H,17-22H2,1H3
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InChIKey
AOOVCNDFEQLFRU-UHFFFAOYSA-N
Physicochemical Property
logP
5.0143
Rotatable Bonds
8
Heavy Atom Count
33
Polar Areas
40.62
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
33

"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: 44392135
ChEMBL ID
CHEMBL182403
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: PT00903, C-C chemokine receptor type 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 5900 nM
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