General Information of the Compound
| Compound ID |
CP0928358
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| Compound Name |
sodium 6-(5-chloro-2-(2,4,6-trifluorobenzyloxy)benzyl)picolinate
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| Structure |
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| Formula |
C20H12ClF3NNaO3
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| Molecular Weight |
429.757
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| Canonical SMILES |
O=C([O-])c1cccc(Cc2cc(Cl)ccc2OCc2c(F)cc(F)cc2F)n1.[Na+]
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| InChI |
InChI=1S/C20H13ClF3NO3.Na/c21-12-4-5-19(28-10-15-16(23)8-13(22)9-17(15)24)11(6-12)7-14-2-1-3-18(25-14)20(26)27;/h1-6,8-9H,7,10H2,(H,26,27);/q;+1/p-1
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| InChIKey |
ADMXKIIZTZAURM-UHFFFAOYSA-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