General Information of the Compound
| Compound ID |
CP0656587
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| Compound Name |
Sodium salt 6-(4'-fluoro-5-hydroxy-3,4,6-triisopropyl-biphenyl-2-yloxy)-3,5-dihydroxy-hexanoate
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| Structure |
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| Formula |
C27H36FNaO6
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| Molecular Weight |
498.567
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| Canonical SMILES |
CC(C)c1c(O)c(C(C)C)c(C(C)C)c(OCC(O)C[C@@H](O)CC(=O)[O-])c1-c1ccc(F)cc1.[Na+]
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| InChI |
InChI=1S/C27H37FO6.Na/c1-14(2)22-24(16(5)6)27(34-13-20(30)11-19(29)12-21(31)32)25(23(15(3)4)26(22)33)17-7-9-18(28)10-8-17;/h7-10,14-16,19-20,29-30,33H,11-13H2,1-6H3,(H,31,32);/q;+1/p-1/t19-,20?;/m1./s1
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| InChIKey |
UOCLXPWFXKHOHH-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