General Information of the Compound
| Compound ID |
CP0459255
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| Compound Name |
2-[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]acetic acid
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| Structure |
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| Formula |
C24H23NO5
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| Molecular Weight |
405.45
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| Canonical SMILES |
CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CC(O)=O)cc1
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| InChI |
InChI=1S/C24H23NO5/c1-3-29-22-17-7-5-6-8-18(17)23(30-4-2)21-19(22)14-25(24(21)28)16-11-9-15(10-12-16)13-20(26)27/h5-12H,3-4,13-14H2,1-2H3,(H,26,27)
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| InChIKey |
ARFPOOKHKRZHNI-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