General Information of the Compound
| Compound ID |
CP0774833
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| Compound Name |
Sodium salt 6-{3-[bis-(4-fluoro-phenyl)-methyl]-1-methyl-naphthalen-2-yloxy}-3,5-dihydroxy-hexanoate
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| Structure |
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| Formula |
C30H27F2NaO5
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| Molecular Weight |
528.527
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| Canonical SMILES |
Cc1c(OCC(O)C[C@@H](O)CC(=O)[O-])c(C(c2ccc(F)cc2)c2ccc(F)cc2)cc2ccccc12.[Na+]
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| InChI |
InChI=1S/C30H28F2O5.Na/c1-18-26-5-3-2-4-21(26)14-27(30(18)37-17-25(34)15-24(33)16-28(35)36)29(19-6-10-22(31)11-7-19)20-8-12-23(32)13-9-20;/h2-14,24-25,29,33-34H,15-17H2,1H3,(H,35,36);/q;+1/p-1/t24-,25?;/m1./s1
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| InChIKey |
PFNLYBTYMZRLMJ-KDVKGMEDSA-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