General Information of the Compound
| Compound ID |
CP0383175
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| Compound Name |
2-[4-(4,9-diethoxy-1,3-dihydrobenzo[f]isoindol-2-yl)phenyl]acetic acid
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| Structure |
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| Formula |
C24H25NO4
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| Molecular Weight |
391.467
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| Canonical SMILES |
CCOc1c2CN(Cc2c(OCC)c2ccccc12)c1ccc(CC(O)=O)cc1
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| InChI |
InChI=1S/C24H25NO4/c1-3-28-23-18-7-5-6-8-19(18)24(29-4-2)21-15-25(14-20(21)23)17-11-9-16(10-12-17)13-22(26)27/h5-12H,3-4,13-15H2,1-2H3,(H,26,27)
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| InChIKey |
BJIFWRCDSZFABA-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