General Information of the Compound
Compound ID
CP0465756
Compound Name
(+/-)-1'-(4-methoxybenzyl)-3-phenyl-3,4'-bipiperidine-2,6-dione
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Structure
Formula
C24H28N2O3
Molecular Weight
392.499
Canonical SMILES
COc1ccc(CN2CCC(CC2)C2(CCC(=O)NC2=O)c2ccccc2)cc1
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InChI
InChI=1S/C24H28N2O3/c1-29-21-9-7-18(8-10-21)17-26-15-12-20(13-16-26)24(19-5-3-2-4-6-19)14-11-22(27)25-23(24)28/h2-10,20H,11-17H2,1H3,(H,25,27,28)
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InChIKey
SCFDELZSHXDBOX-UHFFFAOYSA-N
Physicochemical Property
logP
3.2818
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
58.64
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 44581069
ChEMBL ID
CHEMBL497809
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 = 4270 nM
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