General Information of the Compound
| Compound ID |
CP0955079
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| Compound Name |
3-(5-(1-((3-methylisoxazol-5-yl)methyl)piperidin-4-yl)-1-oxoisoindolin-2-yl)piperidine-2,6-dione
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| Structure |
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| Formula |
C23H26N4O4
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| Molecular Weight |
422.485
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| Canonical SMILES |
Cc1cc(CN2CCC(c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)on1
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| InChI |
InChI=1S/C23H26N4O4/c1-14-10-18(31-25-14)13-26-8-6-15(7-9-26)16-2-3-19-17(11-16)12-27(23(19)30)20-4-5-21(28)24-22(20)29/h2-3,10-11,15,20H,4-9,12-13H2,1H3,(H,24,28,29)
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| InChIKey |
YTXUWRWNBJRVBT-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