General Information of the Compound
| Compound ID |
CP0417985
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| Compound Name |
4-[3-{6-[3,5-Bis-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-phenoxy]-hexyl}-2-(2-carboxy-ethyl)-phenoxy]-butyric acid
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| Structure |
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| Formula |
C41H44O10
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| Molecular Weight |
696.793
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| Canonical SMILES |
OC(=O)CCCOc1cccc(CCCCCCOc2cc(cc(c2)-c2ccc3OCCOc3c2)-c2ccc3OCCOc3c2)c1CCC(O)=O
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| InChI |
InChI=1S/C41H44O10/c42-40(43)10-6-18-47-35-9-5-8-28(34(35)13-16-41(44)45)7-3-1-2-4-17-46-33-24-31(29-11-14-36-38(26-29)50-21-19-48-36)23-32(25-33)30-12-15-37-39(27-30)51-22-20-49-37/h5,8-9,11-12,14-15,23-27H,1-4,6-7,10,13,16-22H2,(H,42,43)(H,44,45)
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| InChIKey |
OWRSXPKDANYYNU-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