General Information of the Compound
Compound ID
CP0965595
Compound Name
3-(5-(1-((1,4-dimethyl-1H-imidazol-2-yl)methyl)piperidin-4-yl)-1-oxoisoindolin-2-yl)piperidine-2,6-dione
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Structure
Formula
C24H29N5O3
Molecular Weight
435.528
Canonical SMILES
Cc1cn(C)c(CN2CCC(c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)n1
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InChI
InChI=1S/C24H29N5O3/c1-15-12-27(2)21(25-15)14-28-9-7-16(8-10-28)17-3-4-19-18(11-17)13-29(24(19)32)20-5-6-22(30)26-23(20)31/h3-4,11-12,16,20H,5-10,13-14H2,1-2H3,(H,26,30,31)
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InChIKey
JDOLQEBNMDCXMI-UHFFFAOYSA-N
Physicochemical Property
logP
1.86912
Rotatable Bonds
4
Heavy Atom Count
32
Polar Areas
87.54
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
32

"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: 138577677
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: PT07271, DNA-binding protein Ikaros
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000362 GripTite 293 MSR Homo sapiens (Human)  1
1
EC50 > 30000 nM
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