General Information of the Compound
| Compound ID |
CP0968176
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| Compound Name |
3-(5-(1-(2-methoxybenzyl)piperidin-4-yl)-1-oxoisoindolin-2-yl)piperidine-2,6-dione
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| Structure |
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| Formula |
C26H29N3O4
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| Molecular Weight |
447.535
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| Canonical SMILES |
COc1ccccc1CN1CCC(c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CC1
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| InChI |
InChI=1S/C26H29N3O4/c1-33-23-5-3-2-4-19(23)15-28-12-10-17(11-13-28)18-6-7-21-20(14-18)16-29(26(21)32)22-8-9-24(30)27-25(22)31/h2-7,14,17,22H,8-13,15-16H2,1H3,(H,27,30,31)
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| InChIKey |
MTUXUBGKJPRZCC-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