General Information of the Compound
| Compound ID |
CP0951127
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| Compound Name |
3-(5-(1-(3,5-difluoro-4-hydroxybenzyl)piperidin-4-yl)-1-oxoisoindolin-2-yl)piperidine-2,6-dione
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| Structure |
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| Formula |
C25H25F2N3O4
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| Molecular Weight |
469.488
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| Canonical SMILES |
O=C1CCC(N2Cc3cc(C4CCN(Cc5cc(F)c(O)c(F)c5)CC4)ccc3C2=O)C(=O)N1
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| InChI |
InChI=1S/C25H25F2N3O4/c26-19-9-14(10-20(27)23(19)32)12-29-7-5-15(6-8-29)16-1-2-18-17(11-16)13-30(25(18)34)21-3-4-22(31)28-24(21)33/h1-2,9-11,15,21,32H,3-8,12-13H2,(H,28,31,33)
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| InChIKey |
IOJSJTBXXZHPBV-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