General Information of the Compound
| Compound ID |
CP0955081
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| Compound Name |
3-(5-(1-(3-(tert-butyl)benzyl)piperidin-4-yl)-1-oxoisoindolin-2-yl)piperidine-2,6-dione
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| Structure |
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| Formula |
C29H35N3O3
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| Molecular Weight |
473.617
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| Canonical SMILES |
CC(C)(C)c1cccc(CN2CCC(c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)c1
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| InChI |
InChI=1S/C29H35N3O3/c1-29(2,3)23-6-4-5-19(15-23)17-31-13-11-20(12-14-31)21-7-8-24-22(16-21)18-32(28(24)35)25-9-10-26(33)30-27(25)34/h4-8,15-16,20,25H,9-14,17-18H2,1-3H3,(H,30,33,34)
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| InChIKey |
UPIXBQZVTHSFRC-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