General Information of the Compound
Compound ID
CP0506320
Compound Name
(+/-)-1'-(3,4-dichlorobenzyl)-3-phenyl-3,4'-bipiperidine-2,6-dione
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Structure
Formula
C23H24Cl2N2O2
Molecular Weight
431.363
Canonical SMILES
Clc1ccc(CN2CCC(CC2)C2(CCC(=O)NC2=O)c2ccccc2)cc1Cl
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InChI
InChI=1S/C23H24Cl2N2O2/c24-19-7-6-16(14-20(19)25)15-27-12-9-18(10-13-27)23(17-4-2-1-3-5-17)11-8-21(28)26-22(23)29/h1-7,14,18H,8-13,15H2,(H,26,28,29)
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InChIKey
OKHGXHAQQSEMOQ-UHFFFAOYSA-N
Physicochemical Property
logP
4.58
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
49.41
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 44581087
ChEMBL ID
CHEMBL498012
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: PT03433, C-X-C chemokine receptor type 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 1260 nM
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