General Information of the Compound
Compound ID
CP0965980
Compound Name
3-(5-(1-([1,1'-biphenyl]-4-ylmethyl)piperidin-4-yl)-1-oxoisoindolin-2-yl)piperidine-2,6-dione
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Structure
Formula
C31H31N3O3
Molecular Weight
493.607
Canonical SMILES
O=C1CCC(N2Cc3cc(C4CCN(Cc5ccc(-c6ccccc6)cc5)CC4)ccc3C2=O)C(=O)N1
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InChI
InChI=1S/C31H31N3O3/c35-29-13-12-28(30(36)32-29)34-20-26-18-25(10-11-27(26)31(34)37)24-14-16-33(17-15-24)19-21-6-8-23(9-7-21)22-4-2-1-3-5-22/h1-11,18,24,28H,12-17,19-20H2,(H,32,35,36)
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InChIKey
DSCUTQDNZRVYJK-UHFFFAOYSA-N
Physicochemical Property
logP
4.4942
Rotatable Bonds
5
Heavy Atom Count
37
Polar Areas
69.72
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
37

"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: 137519789
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