General Information of the Compound
| Compound ID |
CP0838106
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| Compound Name |
Disodium salt; 6-{4'-Fluoro-5-[1-(4'-fluoro-6-hydroxy-5-isopropyl-biphenyl-3-ylsulfanyl)-1-methyl-ethylsulfanyl]-3-isopropyl-biphenyl-2-yloxy}-3,5-dihydroxy-hexanoic acid
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| Structure |
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| Formula |
C39H42F2Na2O6S2
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| Molecular Weight |
754.869
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| Canonical SMILES |
CC(C)c1cc(SC(C)(C)Sc2cc(-c3ccc(F)cc3)c(OCC(O)C[C@@H](O)CC(=O)[O-])c(C(C)C)c2)cc(-c2ccc(F)cc2)c1[O-].[Na+].[Na+]
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| InChI |
InChI=1S/C39H44F2O6S2.2Na/c1-22(2)32-17-30(19-34(37(32)46)24-7-11-26(40)12-8-24)48-39(5,6)49-31-18-33(23(3)4)38(35(20-31)25-9-13-27(41)14-10-25)47-21-29(43)15-28(42)16-36(44)45;;/h7-14,17-20,22-23,28-29,42-43,46H,15-16,21H2,1-6H3,(H,44,45);;/q;2*+1/p-2/t28-,29?;;/m1../s1
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| InChIKey |
GOUUNMKZFZYPAM-ZSWBTJSYSA-L
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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