General Information of the Compound
| Compound ID |
CP0841332
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| Compound Name |
Sodium salt 6-(5-tert-butyl-4'-fluoro-3-isopropyl-biphenyl-2-yloxy)-3,5-dihydroxy-hexanoate
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| Structure |
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| Formula |
C25H32FNaO5
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| Molecular Weight |
454.514
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| Canonical SMILES |
CC(C)c1cc(C(C)(C)C)cc(-c2ccc(F)cc2)c1OCC(O)C[C@@H](O)CC(=O)[O-].[Na+]
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| InChI |
InChI=1S/C25H33FO5.Na/c1-15(2)21-10-17(25(3,4)5)11-22(16-6-8-18(26)9-7-16)24(21)31-14-20(28)12-19(27)13-23(29)30;/h6-11,15,19-20,27-28H,12-14H2,1-5H3,(H,29,30);/q;+1/p-1/t19-,20?;/m1./s1
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| InChIKey |
LFRWZGVSAFMJHU-FVXGQCTOSA-M
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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