General Information of the Compound
| Compound ID |
CP0965585
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| Compound Name |
3-(5-(1-(3-(morpholinosulfonyl)benzyl)piperidin-4-yl)-1-oxoisoindolin-2-yl)piperidine-2,6-dione
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| Structure |
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| Formula |
C29H34N4O6S
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| Molecular Weight |
566.68
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| Canonical SMILES |
O=C1CCC(N2Cc3cc(C4CCN(Cc5cccc(S(=O)(=O)N6CCOCC6)c5)CC4)ccc3C2=O)C(=O)N1
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| InChI |
InChI=1S/C29H34N4O6S/c34-27-7-6-26(28(35)30-27)33-19-23-17-22(4-5-25(23)29(33)36)21-8-10-31(11-9-21)18-20-2-1-3-24(16-20)40(37,38)32-12-14-39-15-13-32/h1-5,16-17,21,26H,6-15,18-19H2,(H,30,34,35)
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| InChIKey |
RCDKQQKUOIBEJT-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