General Information of the Compound
Compound ID
CP0392539
Compound Name
2-Biphenyl-4-yl-N-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-N-methyl-acetamide
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Structure
Formula
C35H38N2O
Molecular Weight
502.702
Canonical SMILES
CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)-c1ccccc1
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InChI
InChI=1S/C35H38N2O/c1-36(35(38)27-28-17-19-30(20-18-28)29-11-5-2-6-12-29)33-21-24-37(25-22-33)26-23-34(31-13-7-3-8-14-31)32-15-9-4-10-16-32/h2-20,33-34H,21-27H2,1H3
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InChIKey
ZLEKVAHXZAYTIM-UHFFFAOYSA-N
Physicochemical Property
logP
7.0411
Rotatable Bonds
9
Heavy Atom Count
38
Polar Areas
23.55
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
38

"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: 44392093
ChEMBL ID
CHEMBL179950
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 = 2300 nM
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