General Information of the Compound
Compound ID
CP0464628
Compound Name
N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-N-ethyl-2-(4-sulfamoylphenyl)acetamide
    Show/Hide
Structure
Formula
C30H37N3O3S
Molecular Weight
519.711
Canonical SMILES
CCN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(N)(=O)=O
    Show/Hide
InChI
InChI=1S/C30H37N3O3S/c1-2-33(30(34)23-24-13-15-28(16-14-24)37(31,35)36)27-17-20-32(21-18-27)22-19-29(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-16,27,29H,2,17-23H2,1H3,(H2,31,35,36)
    Show/Hide
InChIKey
YOGWOSPRCUIBPH-UHFFFAOYSA-N
Physicochemical Property
logP
4.4116
Rotatable Bonds
10
Heavy Atom Count
37
Polar Areas
83.71
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
37

"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: 44392167
ChEMBL ID
CHEMBL179877
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 = 38 nM
   TI
   LI
   LO
   TS