General Information of the Compound
Compound ID
CP0499028
Compound Name
N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-N-methylcyclobutanecarboxamide
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Structure
Formula
C26H34N2O
Molecular Weight
390.571
Canonical SMILES
CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)C1CCC1
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InChI
InChI=1S/C26H34N2O/c1-27(26(29)23-13-8-14-23)24-15-18-28(19-16-24)20-17-25(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-7,9-12,23-25H,8,13-20H2,1H3
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InChIKey
HCQDGTHSLFFEBG-UHFFFAOYSA-N
Physicochemical Property
logP
4.9315
Rotatable Bonds
7
Heavy Atom Count
29
Polar Areas
23.55
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
29

"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: 44392218
ChEMBL ID
CHEMBL181502
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 = 7400 nM
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