General Information of the Compound
Compound ID
CP0950515
Compound Name
3-(5-(1-ethylpiperidin-4-yl)-1-oxoisoindolin-2-yl)piperidine-2,6-dione
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Structure
Formula
C20H25N3O3
Molecular Weight
355.438
Canonical SMILES
CCN1CCC(c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CC1
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InChI
InChI=1S/C20H25N3O3/c1-2-22-9-7-13(8-10-22)14-3-4-16-15(11-14)12-23(20(16)26)17-5-6-18(24)21-19(17)25/h3-4,11,13,17H,2,5-10,12H2,1H3,(H,21,24,25)
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InChIKey
HZOMXCTYEUEIIG-UHFFFAOYSA-N
Physicochemical Property
logP
1.6469
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
69.72
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 137519327
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
   TI
   LI
   LO
   TS