General Information of the Compound
| Compound ID |
CP0452179
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| Compound Name |
4-{2-(2-Carboxy-ethyl)-3-[6-(4,4''-difluoro-[1.1':3',1'']terphenyl-5'-yloxy)-hexyl]-phenoxy}-butyric acid
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| Structure |
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| Formula |
C37H38F2O6
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| Molecular Weight |
616.701
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| Canonical SMILES |
OC(=O)CCCOc1cccc(CCCCCCOc2cc(cc(c2)-c2ccc(F)cc2)-c2ccc(F)cc2)c1CCC(O)=O
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| InChI |
InChI=1S/C37H38F2O6/c38-31-15-11-26(12-16-31)29-23-30(27-13-17-32(39)18-14-27)25-33(24-29)44-21-4-2-1-3-7-28-8-5-9-35(34(28)19-20-37(42)43)45-22-6-10-36(40)41/h5,8-9,11-18,23-25H,1-4,6-7,10,19-22H2,(H,40,41)(H,42,43)
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| InChIKey |
SIBQNRZKNGZZPW-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