General Information of the Compound
| Compound ID |
CP0956196
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| Compound Name |
3-(5-(((R)-1-(2,4-dimethoxybenzyl)piperidin-2-yl)methoxy)-1-oxoisoindolin-2-yl)piperidine-2,6-dione
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| Structure |
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| Formula |
C28H33N3O6
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| Molecular Weight |
507.587
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| Canonical SMILES |
COc1ccc(CN2CCCC[C@@H]2COc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)c(OC)c1
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| InChI |
InChI=1S/C28H33N3O6/c1-35-21-7-6-18(25(14-21)36-2)15-30-12-4-3-5-20(30)17-37-22-8-9-23-19(13-22)16-31(28(23)34)24-10-11-26(32)29-27(24)33/h6-9,13-14,20,24H,3-5,10-12,15-17H2,1-2H3,(H,29,32,33)/t20-,24?/m1/s1
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| InChIKey |
KUXGMLPREIKZQY-CGHJUBPDSA-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