General Information of the Compound
| Compound ID |
CP0521121
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| Compound Name |
2-[5-(1,3-benzodioxol-4-ylmethoxy)-2-cyanophenoxy]-2-(2-methylphenyl)acetic acid
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| Structure |
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| Formula |
C24H19NO6
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| Molecular Weight |
417.417
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| Canonical SMILES |
Cc1ccccc1C(Oc1cc(OCc2cccc3OCOc23)ccc1C#N)C(O)=O
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| InChI |
InChI=1S/C24H19NO6/c1-15-5-2-3-7-19(15)23(24(26)27)31-21-11-18(10-9-16(21)12-25)28-13-17-6-4-8-20-22(17)30-14-29-20/h2-11,23H,13-14H2,1H3,(H,26,27)
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| InChIKey |
UXUCGIHLCOKEBF-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