General Information of the Compound
| Compound ID |
CP0794416
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| Compound Name |
Sodium salt 6-(4,4''-difluoro-5'-isopropyl-[1,1',3',1'']terphenyl-4'-yloxy)-3,5-dihydroxy-hexanoate
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| Structure |
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| Formula |
C27H27F2NaO5
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| Molecular Weight |
492.494
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| Canonical SMILES |
CC(C)c1cc(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)c1OCC(O)C[C@@H](O)CC(=O)[O-].[Na+]
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| InChI |
InChI=1S/C27H28F2O5.Na/c1-16(2)24-11-19(17-3-7-20(28)8-4-17)12-25(18-5-9-21(29)10-6-18)27(24)34-15-23(31)13-22(30)14-26(32)33;/h3-12,16,22-23,30-31H,13-15H2,1-2H3,(H,32,33);/q;+1/p-1/t22-,23?;/m1./s1
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| InChIKey |
URIMXDOMPWCZID-GCUSPBPKSA-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