General Information of the Compound
| Compound ID |
CP0964074
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| Compound Name |
3-(5-(1-((2-morpholinopyrimidin-5-yl)methyl)piperidin-4-yl)-1-oxoisoindolin-2-yl)piperidine-2,6-dione
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| Structure |
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| Formula |
C27H32N6O4
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| Molecular Weight |
504.591
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| Canonical SMILES |
O=C1CCC(N2Cc3cc(C4CCN(Cc5cnc(N6CCOCC6)nc5)CC4)ccc3C2=O)C(=O)N1
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| InChI |
InChI=1S/C27H32N6O4/c34-24-4-3-23(25(35)30-24)33-17-21-13-20(1-2-22(21)26(33)36)19-5-7-31(8-6-19)16-18-14-28-27(29-15-18)32-9-11-37-12-10-32/h1-2,13-15,19,23H,3-12,16-17H2,(H,30,34,35)
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| InChIKey |
YNQVBWSKSTYTLX-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