General Information of the Compound
| Compound ID |
CP0549817
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| Compound Name |
2-[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]propanoic acid
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| Structure |
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| Formula |
C25H25NO5
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| Molecular Weight |
419.477
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| Canonical SMILES |
CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(cc1)C(C)C(O)=O
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| InChI |
InChI=1S/C25H25NO5/c1-4-30-22-18-8-6-7-9-19(18)23(31-5-2)21-20(22)14-26(24(21)27)17-12-10-16(11-13-17)15(3)25(28)29/h6-13,15H,4-5,14H2,1-3H3,(H,28,29)
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| InChIKey |
VRKBVSUBBJLUGY-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