General Information of the Compound
| Compound ID |
CP0479967
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| Compound Name |
4-[3-[6-(3,5-Bis-benzo[1,3]dioxol-5-yl-phenoxy)-hexyl]-2-(2-carboxy-ethyl)-phenoxy]-butyric acid
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| Structure |
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| Formula |
C39H40O10
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| Molecular Weight |
668.739
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| Canonical SMILES |
OC(=O)CCCOc1cccc(CCCCCCOc2cc(cc(c2)-c2ccc3OCOc3c2)-c2ccc3OCOc3c2)c1CCC(O)=O
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| InChI |
InChI=1S/C39H40O10/c40-38(41)10-6-18-45-33-9-5-8-26(32(33)13-16-39(42)43)7-3-1-2-4-17-44-31-20-29(27-11-14-34-36(22-27)48-24-46-34)19-30(21-31)28-12-15-35-37(23-28)49-25-47-35/h5,8-9,11-12,14-15,19-23H,1-4,6-7,10,13,16-18,24-25H2,(H,40,41)(H,42,43)
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| InChIKey |
ZSHBLZWJGIQZTM-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