General Information of the Compound
| Compound ID |
CP0561801
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| Compound Name |
N-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4,9-dioxobenzo[f][1]benzofuran-2-carboxamide
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| Formula |
C36H36N4O12
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| Molecular Weight |
716.7
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| Canonical SMILES |
O=C(NCCOCCOCCOCCOCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)c1cc2c(o1)C(=O)c1ccccc1C2=O
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| InChI |
InChI=1S/C36H36N4O12/c41-28-9-8-26(33(44)39-28)40-35(46)23-6-3-7-25(29(23)36(40)47)37-10-12-48-14-16-50-18-19-51-17-15-49-13-11-38-34(45)27-20-24-30(42)21-4-1-2-5-22(21)31(43)32(24)52-27/h1-7,20,26,37H,8-19H2,(H,38,45)(H,39,41,44)
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| InChIKey |
ABSCCMLXMLWGPH-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