General Information of the Compound
| Compound ID |
CP0402254
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| Compound Name |
4-(2-(2-carboxyethyl)-3-(6-(5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4'-fluorobiphenyl-3-yloxy)hexyl)phenoxy)butanoic acid
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| Structure |
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| Formula |
C39H41FO8
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| Molecular Weight |
656.747
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| Canonical SMILES |
OC(=O)CCCOc1cccc(CCCCCCOc2cc(cc(c2)-c2ccc3OCCOc3c2)-c2ccc(F)cc2)c1CCC(O)=O
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| InChI |
InChI=1S/C39H41FO8/c40-32-14-11-27(12-15-32)30-23-31(29-13-17-36-37(26-29)48-22-21-47-36)25-33(24-30)45-19-4-2-1-3-7-28-8-5-9-35(34(28)16-18-39(43)44)46-20-6-10-38(41)42/h5,8-9,11-15,17,23-26H,1-4,6-7,10,16,18-22H2,(H,41,42)(H,43,44)
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| InChIKey |
UFUBKPHWMFMDPY-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