General Information of the Compound
| Compound ID |
CP0951267
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| Compound Name |
3-(5-(1-(3-isopropoxybenzyl)piperidin-4-yl)-1-oxoisoindolin-2-yl)piperidine-2,6-dione
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| Structure |
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| Formula |
C28H33N3O4
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| Molecular Weight |
475.589
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| Canonical SMILES |
CC(C)Oc1cccc(CN2CCC(c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)c1
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| InChI |
InChI=1S/C28H33N3O4/c1-18(2)35-23-5-3-4-19(14-23)16-30-12-10-20(11-13-30)21-6-7-24-22(15-21)17-31(28(24)34)25-8-9-26(32)29-27(25)33/h3-7,14-15,18,20,25H,8-13,16-17H2,1-2H3,(H,29,32,33)
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| InChIKey |
LJJWRMILVQWBQQ-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