General Information of the Compound
| Compound ID |
CP0575045
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| Compound Name |
N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethyl]-4,9-dioxobenzo[f][1]benzofuran-2-carboxamide
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| Formula |
C32H30N4O9
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| Molecular Weight |
614.611
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| Canonical SMILES |
O=C(NCCOCCOCCNc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O)c1cc2c(o1)C(=O)c1ccccc1C2=O
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| InChI |
InChI=1S/C32H30N4O9/c37-26-9-8-24(30(40)35-26)36-17-22-20(32(36)42)6-3-7-23(22)33-10-12-43-14-15-44-13-11-34-31(41)25-16-21-27(38)18-4-1-2-5-19(18)28(39)29(21)45-25/h1-7,16,24,33H,8-15,17H2,(H,34,41)(H,35,37,40)
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| InChIKey |
ZEKREJWRSZFNDS-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