General Information of the Compound
| Compound ID |
CP0950519
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| Compound Name |
3-(5-(1-(4-methoxybenzyl)piperidin-4-yl)-1-oxoisoindolin-2-yl)piperidine-2,6-dione formate
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| Structure |
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| Formula |
C27H31N3O6
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| Molecular Weight |
493.56
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| Canonical SMILES |
COc1ccc(CN2CCC(c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)cc1.O=CO
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| InChI |
InChI=1S/C26H29N3O4.CH2O2/c1-33-21-5-2-17(3-6-21)15-28-12-10-18(11-13-28)19-4-7-22-20(14-19)16-29(26(22)32)23-8-9-24(30)27-25(23)31;2-1-3/h2-7,14,18,23H,8-13,15-16H2,1H3,(H,27,30,31);1H,(H,2,3)
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| InChIKey |
XZNMAYYCILRMDL-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