General Information of the Compound
| Compound ID |
CP0393321
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| Compound Name |
3-[3-[[3-tert-butyl-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C27H29FO4
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| Molecular Weight |
436.523
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| Canonical SMILES |
COc1ccc(F)c(c1)-c1ccc(COc2cccc(CCC(O)=O)c2)cc1C(C)(C)C
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| InChI |
InChI=1S/C27H29FO4/c1-27(2,3)24-15-19(8-11-22(24)23-16-20(31-4)10-12-25(23)28)17-32-21-7-5-6-18(14-21)9-13-26(29)30/h5-8,10-12,14-16H,9,13,17H2,1-4H3,(H,29,30)
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| InChIKey |
BJOXXURHNRXMAX-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