General Information of the Compound
Compound ID
CP0966503
Compound Name
tert-butyl 2-(4-(2-(2,6-dioxopiperidin-3-yl)-1-oxoisoindolin-5-yl)piperidin-1-yl)acetate
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Structure
Formula
C24H31N3O5
Molecular Weight
441.528
Canonical SMILES
CC(C)(C)OC(=O)CN1CCC(c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CC1
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InChI
InChI=1S/C24H31N3O5/c1-24(2,3)32-21(29)14-26-10-8-15(9-11-26)16-4-5-18-17(12-16)13-27(23(18)31)19-6-7-20(28)25-22(19)30/h4-5,12,15,19H,6-11,13-14H2,1-3H3,(H,25,28,30)
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InChIKey
UDZVHJMKAZNIAG-UHFFFAOYSA-N
Physicochemical Property
logP
1.9687
Rotatable Bonds
4
Heavy Atom Count
32
Polar Areas
96.02
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: 137519520
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 > 50000 nM
   TI
   LI
   LO
   TS
Protein ID: PT07180, Eukaryotic peptide chain release factor GTP-binding subunit ERF3A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000362 GripTite 293 MSR Homo sapiens (Human)  1
1
EC50 > 50000 nM
   TI
   LI
   LO
   TS