General Information of the Compound
| Compound ID |
CP0968673
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| Compound Name |
2-(4-((4-(2-(2,6-dioxopiperidin-3-yl)-1-oxoisoindolin-5-yl)piperidin-1-yl)methyl)phenoxy)acetonitrile
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| Structure |
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| Formula |
C27H28N4O4
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| Molecular Weight |
472.545
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| Canonical SMILES |
N#CCOc1ccc(CN2CCC(c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)cc1
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| InChI |
InChI=1S/C27H28N4O4/c28-11-14-35-22-4-1-18(2-5-22)16-30-12-9-19(10-13-30)20-3-6-23-21(15-20)17-31(27(23)34)24-7-8-25(32)29-26(24)33/h1-6,15,19,24H,7-10,12-14,16-17H2,(H,29,32,33)
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| InChIKey |
IACWUKBYTLCAIJ-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