General Information of the Compound
| Compound ID |
CP0528748
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| Compound Name |
(R)-4-[5-(Benzo[1,3]dioxol-5-ylmethoxy)-2-cyano-phenoxy]-4-o-tolyl-butyric acid
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| Structure |
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| Formula |
C26H23NO6
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| Molecular Weight |
445.471
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| Canonical SMILES |
Cc1ccccc1[C@@H](CCC(O)=O)Oc1cc(OCc2ccc3OCOc3c2)ccc1C#N
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| InChI |
InChI=1S/C26H23NO6/c1-17-4-2-3-5-21(17)22(10-11-26(28)29)33-24-13-20(8-7-19(24)14-27)30-15-18-6-9-23-25(12-18)32-16-31-23/h2-9,12-13,22H,10-11,15-16H2,1H3,(H,28,29)/t22-/m1/s1
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| InChIKey |
FYSOOPQBBYQVJU-JOCHJYFZSA-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