General Information of the Compound
| Compound ID |
CP0951270
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| Compound Name |
3-(5-(1-(4-cyclopentylbenzyl)piperidin-yl)-1-oxoisoindolin-2-yl)piperidine-2,6-dione
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| Structure |
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| Formula |
C30H35N3O3
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| Molecular Weight |
485.628
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| Canonical SMILES |
O=C1CCC(N2Cc3cc(C4CCN(Cc5ccc(C6CCCC6)cc5)CC4)ccc3C2=O)C(=O)N1
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| InChI |
InChI=1S/C30H35N3O3/c34-28-12-11-27(29(35)31-28)33-19-25-17-24(9-10-26(25)30(33)36)23-13-15-32(16-14-23)18-20-5-7-22(8-6-20)21-3-1-2-4-21/h5-10,17,21,23,27H,1-4,11-16,18-19H2,(H,31,34,35)
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| InChIKey |
KGYMDPOUIINEAB-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