General Information of the Compound
Compound ID
CP0955080
Compound Name
methyl2-((4-(2-(2,6-dioxopiperidin-3-yl)-1-oxoisoindolin-5-yl)piperidin-1-yl)methyl)oxazole-4-carboxylate
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Structure
Formula
C24H26N4O6
Molecular Weight
466.494
Canonical SMILES
COC(=O)c1coc(CN2CCC(c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)n1
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InChI
InChI=1S/C24H26N4O6/c1-33-24(32)18-13-34-21(25-18)12-27-8-6-14(7-9-27)15-2-3-17-16(10-15)11-28(23(17)31)19-4-5-20(29)26-22(19)30/h2-3,10,13-14,19H,4-9,11-12H2,1H3,(H,26,29,30)
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InChIKey
AGRYZLDACZQCSA-UHFFFAOYSA-N
Physicochemical Property
logP
1.6018
Rotatable Bonds
5
Heavy Atom Count
34
Polar Areas
122.05
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Complexity
34

"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: 137519390
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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