General Information of the Compound
| Compound ID |
CP0960550
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| Compound Name |
3-(5-((2S)-1-benzyl-2-methylpiperidin-4-yl)-1-oxoisoindolin-2-yl)piperidine-2,6-dione formate
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| Structure |
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| Formula |
C27H31N3O5
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| Molecular Weight |
477.561
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| Canonical SMILES |
C[C@H]1CC(c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CCN1Cc1ccccc1.O=CO
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| InChI |
InChI=1S/C26H29N3O3.CH2O2/c1-17-13-20(11-12-28(17)15-18-5-3-2-4-6-18)19-7-8-22-21(14-19)16-29(26(22)32)23-9-10-24(30)27-25(23)31;2-1-3/h2-8,14,17,20,23H,9-13,15-16H2,1H3,(H,27,30,31);1H,(H,2,3)/t17-,20?,23?;/m0./s1
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| InChIKey |
PHGBIFJVYZAQDI-OLJYXKMHSA-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