General Information of the Compound
| Compound ID |
CP0968671
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| Compound Name |
3-(5-(1-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)methyl)piperidin-4-yl)-1-oxoisoindolin-2-yl)piperidine-2,6-dione
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| Structure |
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| Formula |
C26H25F2N3O5
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| Molecular Weight |
497.498
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| Canonical SMILES |
O=C1CCC(N2Cc3cc(C4CCN(Cc5ccc6c(c5)OC(F)(F)O6)CC4)ccc3C2=O)C(=O)N1
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| InChI |
InChI=1S/C26H25F2N3O5/c27-26(28)35-21-5-1-15(11-22(21)36-26)13-30-9-7-16(8-10-30)17-2-3-19-18(12-17)14-31(25(19)34)20-4-6-23(32)29-24(20)33/h1-3,5,11-12,16,20H,4,6-10,13-14H2,(H,29,32,33)
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| InChIKey |
MGYWBBXOQGTODZ-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