General Information of the Compound
| Compound ID |
CP0741425
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| Compound Name |
Sodium salt 6-[2,4-dichloro-6-(cyclohexyl-difluoro-methyl)-phenoxy]-3,5-dihydroxy-hexanoate
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| Structure |
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| Formula |
C19H23Cl2F2NaO5
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| Molecular Weight |
463.28
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| Canonical SMILES |
O=C([O-])C[C@H](O)CC(O)COc1c(Cl)cc(Cl)cc1C(F)(F)C1CCCCC1.[Na+]
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| InChI |
InChI=1S/C19H24Cl2F2O5.Na/c20-12-6-15(19(22,23)11-4-2-1-3-5-11)18(16(21)7-12)28-10-14(25)8-13(24)9-17(26)27;/h6-7,11,13-14,24-25H,1-5,8-10H2,(H,26,27);/q;+1/p-1/t13-,14?;/m1./s1
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| InChIKey |
BXIJELHPJYEOIR-JRLNIEDVSA-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