General Information of the Compound
Compound ID
CP0951120
Compound Name
4-((4-(2-(2,6-dioxopiperidin-3-yl)-1-oxoisoindolin-5-yl)piperidin-1-yl)methyl)benzamide
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Structure
Formula
C26H28N4O4
Molecular Weight
460.534
Canonical SMILES
NC(=O)c1ccc(CN2CCC(c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)cc1
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InChI
InChI=1S/C26H28N4O4/c27-24(32)18-3-1-16(2-4-18)14-29-11-9-17(10-12-29)19-5-6-21-20(13-19)15-30(26(21)34)22-7-8-23(31)28-25(22)33/h1-6,13,17,22H,7-12,14-15H2,(H2,27,32)(H,28,31,33)
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InChIKey
IZGOZHQIEMPOFK-UHFFFAOYSA-N
Physicochemical Property
logP
1.9261
Rotatable Bonds
5
Heavy Atom Count
34
Polar Areas
112.81
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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: 137519773
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