General Information of the Compound
| Compound ID |
CP0678062
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| Compound Name |
Sodium salt 6-(5-cyclohexylmethyl-3-isopropyl-biphenyl-4-yloxy)-3,5-dihydroxy-hexanoate
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| Structure |
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| Formula |
C28H37NaO5
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| Molecular Weight |
476.589
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| Canonical SMILES |
CC(C)c1cc(-c2ccccc2)cc(CC2CCCCC2)c1OCC(O)C[C@@H](O)CC(=O)[O-].[Na+]
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| InChI |
InChI=1S/C28H38O5.Na/c1-19(2)26-15-22(21-11-7-4-8-12-21)14-23(13-20-9-5-3-6-10-20)28(26)33-18-25(30)16-24(29)17-27(31)32;/h4,7-8,11-12,14-15,19-20,24-25,29-30H,3,5-6,9-10,13,16-18H2,1-2H3,(H,31,32);/q;+1/p-1/t24-,25?;/m1./s1
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| InChIKey |
KTPKHKSKUKHWCS-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