General Information of the Compound
| Compound ID |
CP0383176
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| Compound Name |
2-[4-(4,9-diethoxy-6-methyl-1,3-dioxobenzo[f]isoindol-2-yl)phenyl]acetic acid
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| Structure |
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| Formula |
C25H23NO6
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| Molecular Weight |
433.46
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| Canonical SMILES |
CCOc1c2C(=O)N(C(=O)c2c(OCC)c2cc(C)ccc12)c1ccc(CC(O)=O)cc1
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| InChI |
InChI=1S/C25H23NO6/c1-4-31-22-17-11-6-14(3)12-18(17)23(32-5-2)21-20(22)24(29)26(25(21)30)16-9-7-15(8-10-16)13-19(27)28/h6-12H,4-5,13H2,1-3H3,(H,27,28)
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| InChIKey |
WKHDDOSPHNUEMZ-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