General Information of the Compound
Compound ID
CP0965600
Compound Name
3-(1-oxo-5-(1-(3,3,3-trifluoropropyl)piperidin-4-yl)isoindolin-2-yl)piperidine-2,6-dione
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Structure
Formula
C21H24F3N3O3
Molecular Weight
423.435
Canonical SMILES
O=C1CCC(N2Cc3cc(C4CCN(CCC(F)(F)F)CC4)ccc3C2=O)C(=O)N1
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InChI
InChI=1S/C21H24F3N3O3/c22-21(23,24)7-10-26-8-5-13(6-9-26)14-1-2-16-15(11-14)12-27(20(16)30)17-3-4-18(28)25-19(17)29/h1-2,11,13,17H,3-10,12H2,(H,25,28,29)
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InChIKey
OTCSRCQQDSTOQQ-UHFFFAOYSA-N
Physicochemical Property
logP
2.5794
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
69.72
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
30

"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: 137519726
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