General Information of the Compound
| Compound ID |
CP0950520
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| Compound Name |
3-(1-oxo-5-(1-(quinoxalin-6-ylmethyl)piperidin-4-yl)isoindolin-2-yl)piperidine-2,6-dione
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| Structure |
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| Formula |
C27H27N5O3
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| Molecular Weight |
469.545
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| Canonical SMILES |
O=C1CCC(N2Cc3cc(C4CCN(Cc5ccc6nccnc6c5)CC4)ccc3C2=O)C(=O)N1
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| InChI |
InChI=1S/C27H27N5O3/c33-25-6-5-24(26(34)30-25)32-16-20-14-19(2-3-21(20)27(32)35)18-7-11-31(12-8-18)15-17-1-4-22-23(13-17)29-10-9-28-22/h1-4,9-10,13-14,18,24H,5-8,11-12,15-16H2,(H,30,33,34)
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| InChIKey |
RBXUJPNGIXZYFN-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