General Information of the Compound
Compound ID
CP0420120
Compound Name
N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-N-methyl-2-phenylpropanamide
    Show/Hide
Structure
Formula
C30H36N2O
Molecular Weight
440.631
Canonical SMILES
CC(C(=O)N(C)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)c1ccccc1
    Show/Hide
InChI
InChI=1S/C30H36N2O/c1-24(25-12-6-3-7-13-25)30(33)31(2)28-18-21-32(22-19-28)23-20-29(26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17,24,28-29H,18-23H2,1-2H3
    Show/Hide
InChIKey
BQBLVXRALWABEM-UHFFFAOYSA-N
Physicochemical Property
logP
5.9351
Rotatable Bonds
8
Heavy Atom Count
33
Polar Areas
23.55
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 44392160
ChEMBL ID
CHEMBL362168
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 = 6800 nM
   TI
   LI
   LO
   TS