General Information of the Compound
Compound ID
CP0950503
Compound Name
3-(1-oxo-5-(1-phenylpiperidin-4-yl)isoindolin-2-yl)piperidine-26-dione
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Formula
C24H25N3O3
Molecular Weight
403.482
Canonical SMILES
O=C1CCNC(=O)C1N1Cc2cc(C3CCN(c4ccccc4)CC3)ccc2C1=O
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InChI
InChI=1S/C24H25N3O3/c28-21-8-11-25-23(29)22(21)27-15-18-14-17(6-7-20(18)24(27)30)16-9-12-26(13-10-16)19-4-2-1-3-5-19/h1-7,14,16,22H,8-13,15H2,(H,25,29)
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InChIKey
QCOFXBJRUMTWPH-UHFFFAOYSA-N
Physicochemical Property
logP
2.484
Rotatable Bonds
3
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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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