General Information of the Compound
| Compound ID |
CP0970296
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| Compound Name |
3-(1-oxo-5-(1-(4-propylbenzyl)piperidin-4-yl)isoindolin-2-yl)piperidine-2,6-dione
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| Structure |
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| Formula |
C28H33N3O3
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| Molecular Weight |
459.59
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| Canonical SMILES |
CCCc1ccc(CN2CCC(c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)cc1
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| InChI |
InChI=1S/C28H33N3O3/c1-2-3-19-4-6-20(7-5-19)17-30-14-12-21(13-15-30)22-8-9-24-23(16-22)18-31(28(24)34)25-10-11-26(32)29-27(25)33/h4-9,16,21,25H,2-3,10-15,17-18H2,1H3,(H,29,32,33)
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| InChIKey |
FHRPTDRMRQJLQS-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