General Information of the Compound
| Compound ID |
CP0509142
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| Compound Name |
2-[2-cyano-5-[(2,6-dimethylphenyl)methoxy]phenoxy]-2-(2-methylphenyl)acetic acid
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| Structure |
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| Formula |
C25H23NO4
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| Molecular Weight |
401.462
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| Canonical SMILES |
Cc1ccccc1C(Oc1cc(OCc2c(C)cccc2C)ccc1C#N)C(O)=O
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| InChI |
InChI=1S/C25H23NO4/c1-16-7-4-5-10-21(16)24(25(27)28)30-23-13-20(12-11-19(23)14-26)29-15-22-17(2)8-6-9-18(22)3/h4-13,24H,15H2,1-3H3,(H,27,28)
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| InChIKey |
AUVIGAAEGZUWRS-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