General Information of the Compound
| Compound ID |
CP0950513
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| Compound Name |
3-(5-(1-((1-cyclobutyl-1H-1,2,3-triazol-4-yl)methyl)piperidin-4-yl)-1-oxoisoindolin-2-yl)piperidine-2,6-dione
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| Structure |
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| Formula |
C25H30N6O3
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| Molecular Weight |
462.554
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| Canonical SMILES |
O=C1CCC(N2Cc3cc(C4CCN(Cc5cn(C6CCC6)nn5)CC4)ccc3C2=O)C(=O)N1
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| InChI |
InChI=1S/C25H30N6O3/c32-23-7-6-22(24(33)26-23)30-13-18-12-17(4-5-21(18)25(30)34)16-8-10-29(11-9-16)14-19-15-31(28-27-19)20-2-1-3-20/h4-5,12,15-16,20,22H,1-3,6-11,13-14H2,(H,26,32,33)
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| InChIKey |
XJNINVLKRMVWLF-UHFFFAOYSA-N
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| Physicochemical Property |
"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). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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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 |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT07271, DNA-binding protein Ikaros
Protein ID: PT07180, Eukaryotic peptide chain release factor GTP-binding subunit ERF3A