General Information of the Compound
Compound ID
CP0960548
Compound Name
3-(5-(1-((6-methylimidazo[2,1-b]thiazol-5-yl)methyl)piperidin-4-yl)-1-oxoisoindolin-2-yl)piperidine-2,6-dione
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Structure
Formula
C25H27N5O3S
Molecular Weight
477.59
Canonical SMILES
Cc1nc2sccn2c1CN1CCC(c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CC1
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InChI
InChI=1S/C25H27N5O3S/c1-15-21(29-10-11-34-25(29)26-15)14-28-8-6-16(7-9-28)17-2-3-19-18(12-17)13-30(24(19)33)20-4-5-22(31)27-23(20)32/h2-3,10-12,16,20H,4-9,13-14H2,1H3,(H,27,31,32)
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InChIKey
JGFPJYXRZZILFZ-UHFFFAOYSA-N
Physicochemical Property
logP
2.84482
Rotatable Bonds
4
Heavy Atom Count
34
Polar Areas
87.02
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
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: 138577675
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
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 > 30000 nM
   TI
   LI
   LO
   TS