General Information of the Compound
| Compound ID |
CP0469671
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| Compound Name |
2-[4-(4,9-dibutoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]acetic acid
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| Structure |
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| Formula |
C28H31NO5
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| Molecular Weight |
461.558
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| Canonical SMILES |
CCCCOc1c2CN(C(=O)c2c(OCCCC)c2ccccc12)c1ccc(CC(O)=O)cc1
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| InChI |
InChI=1S/C28H31NO5/c1-3-5-15-33-26-21-9-7-8-10-22(21)27(34-16-6-4-2)25-23(26)18-29(28(25)32)20-13-11-19(12-14-20)17-24(30)31/h7-14H,3-6,15-18H2,1-2H3,(H,30,31)
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| InChIKey |
BSPZLFPBGAOEDF-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