General Information of the Compound
| Compound ID |
CP0709887
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| Compound Name |
sodium 6-(5-chloro-2-(4-chloro-2-fluorobenzyloxy)benzyl)picolinate
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| Structure |
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| Formula |
C20H13Cl2FNNaO3
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| Molecular Weight |
428.222
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| Canonical SMILES |
O=C([O-])c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1.[Na+]
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| InChI |
InChI=1S/C20H14Cl2FNO3.Na/c21-14-6-7-19(27-11-12-4-5-15(22)10-17(12)23)13(8-14)9-16-2-1-3-18(24-16)20(25)26;/h1-8,10H,9,11H2,(H,25,26);/q;+1/p-1
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| InChIKey |
ROPHIKMBWGQPQO-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