General Information of the Compound
| Compound ID |
CP0965591
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| Compound Name |
3-(5-(1-(4-isopropylbenzyl)piperidin-4-yl)-1-oxoisoindolin-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 |
CC(C)c1ccc(CN2CCC(c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)cc1
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| InChI |
InChI=1S/C28H33N3O3/c1-18(2)20-5-3-19(4-6-20)16-30-13-11-21(12-14-30)22-7-8-24-23(15-22)17-31(28(24)34)25-9-10-26(32)29-27(25)33/h3-8,15,18,21,25H,9-14,16-17H2,1-2H3,(H,29,32,33)
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| InChIKey |
JQHSCZWGEPHUPK-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