General Information of the Compound
| Compound ID |
CP0481062
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| Compound Name |
2-[2-cyano-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)phenoxy]-2-(2-methylphenyl)acetic acid
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| Structure |
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| Formula |
C25H21NO6
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| Molecular Weight |
431.444
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| Canonical SMILES |
Cc1ccccc1C(Oc1cc(OCc2ccc3OCCOc3c2)ccc1C#N)C(O)=O
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| InChI |
InChI=1S/C25H21NO6/c1-16-4-2-3-5-20(16)24(25(27)28)32-22-13-19(8-7-18(22)14-26)31-15-17-6-9-21-23(12-17)30-11-10-29-21/h2-9,12-13,24H,10-11,15H2,1H3,(H,27,28)
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| InChIKey |
XWGADPMIJIHBBB-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