General Information of the Compound
| Compound ID |
CP0965602
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| Compound Name |
3-(1-oxo-5-(1-(2,2,2-trifluoroethyl)piperidin-4-yl)isoindolin-2-yl)piperidine-2,6-dione
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| Structure |
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| Formula |
C20H22F3N3O3
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| Molecular Weight |
409.408
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| Canonical SMILES |
O=C1CCC(N2Cc3cc(C4CCN(CC(F)(F)F)CC4)ccc3C2=O)C(=O)N1
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| InChI |
InChI=1S/C20H22F3N3O3/c21-20(22,23)11-25-7-5-12(6-8-25)13-1-2-15-14(9-13)10-26(19(15)29)16-3-4-17(27)24-18(16)28/h1-2,9,12,16H,3-8,10-11H2,(H,24,27,28)
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| InChIKey |
LVBQBELCGFNMTA-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