General Information of the Compound
| Compound ID |
CP0535102
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| Compound Name |
N-[2-[4-[5-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]piperidin-1-yl]ethyl]-4,9-dioxobenzo[f][1]benzofuran-2-carboxamide
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| Formula |
C39H41N5O8
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| Molecular Weight |
707.784
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| Canonical SMILES |
CN1C(=O)CCC(N2C(=O)c3cccc(NCCCCCC4CCN(CCNC(=O)c5cc6c(o5)C(=O)c5ccccc5C6=O)CC4)c3C2=O)C1=O
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| InChI |
InChI=1S/C39H41N5O8/c1-42-31(45)14-13-29(38(42)50)44-37(49)26-11-7-12-28(32(26)39(44)51)40-17-6-2-3-8-23-15-19-43(20-16-23)21-18-41-36(48)30-22-27-33(46)24-9-4-5-10-25(24)34(47)35(27)52-30/h4-5,7,9-12,22-23,29,40H,2-3,6,8,13-21H2,1H3,(H,41,48)
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| InChIKey |
XVEIESGZWQMPSC-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