General Information of the Compound
| Compound ID |
CP0968112
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| Compound Name |
3-(1-oxo-5-(1-((2-phenylthiazol-4-yl)methyl)piperidin-4-yl)isoindolin-2-yl)piperidine-2,6-dione
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| Structure |
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| Formula |
C28H28N4O3S
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| Molecular Weight |
500.624
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| Canonical SMILES |
O=C1CCC(N2Cc3cc(C4CCN(Cc5csc(-c6ccccc6)n5)CC4)ccc3C2=O)C(=O)N1
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| InChI |
InChI=1S/C28H28N4O3S/c33-25-9-8-24(26(34)30-25)32-15-21-14-20(6-7-23(21)28(32)35)18-10-12-31(13-11-18)16-22-17-36-27(29-22)19-4-2-1-3-5-19/h1-7,14,17-18,24H,8-13,15-16H2,(H,30,33,34)
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| InChIKey |
JBOVQDNYVQUHTJ-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