General Information of the Compound
| Compound ID |
CP0969942
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| Compound Name |
3-(5-(1-(4-(tert-butyl)benzyl)piperidin-4-yl)-1-oxoisoindolin-2-yl)piperidine-2,6-dione formate
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| Structure |
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| Formula |
C30H37N3O5
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| Molecular Weight |
519.642
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| Canonical SMILES |
CC(C)(C)c1ccc(CN2CCC(c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)cc1.O=CO
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| InChI |
InChI=1S/C29H35N3O3.CH2O2/c1-29(2,3)23-7-4-19(5-8-23)17-31-14-12-20(13-15-31)21-6-9-24-22(16-21)18-32(28(24)35)25-10-11-26(33)30-27(25)34;2-1-3/h4-9,16,20,25H,10-15,17-18H2,1-3H3,(H,30,33,34);1H,(H,2,3)
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| InChIKey |
GLPFIPOYESTFJR-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