General Information of the Compound
| Compound ID |
CP0967208
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| Compound Name |
3-(5-(1-((3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)methyl)piperidin-4-yl)-1-oxoisoindolin-2-yl)piperidine-2,6-dione
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| Structure |
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| Formula |
C28H31N3O5
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| Molecular Weight |
489.572
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| Canonical SMILES |
O=C1CCC(N2Cc3cc(C4CCN(Cc5ccc6c(c5)OCCCO6)CC4)ccc3C2=O)C(=O)N1
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| InChI |
InChI=1S/C28H31N3O5/c32-26-7-5-23(27(33)29-26)31-17-21-15-20(3-4-22(21)28(31)34)19-8-10-30(11-9-19)16-18-2-6-24-25(14-18)36-13-1-12-35-24/h2-4,6,14-15,19,23H,1,5,7-13,16-17H2,(H,29,32,33)
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| InChIKey |
CNFNRBXTXHAUHB-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