General Information of the Compound
| Compound ID |
CP0951104
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| Compound Name |
3-(1-oxo-5-(1-((4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)methyl)piperidin-4-yl)isoindolin-2-yl)piperidine-2,6-dione
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| Structure |
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| Formula |
C25H25N5O4S
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| Molecular Weight |
491.573
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| Canonical SMILES |
O=C1CCC(N2Cc3cc(C4CCN(Cc5nc6ccsc6c(=O)[nH]5)CC4)ccc3C2=O)C(=O)N1
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| InChI |
InChI=1S/C25H25N5O4S/c31-21-4-3-19(23(32)28-21)30-12-16-11-15(1-2-17(16)25(30)34)14-5-8-29(9-6-14)13-20-26-18-7-10-35-22(18)24(33)27-20/h1-2,7,10-11,14,19H,3-6,8-9,12-13H2,(H,26,27,33)(H,28,31,32)
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| InChIKey |
OBVIKDWKJAXHFY-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