General Information of the Compound
| Compound ID |
CP0946776
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| Compound Name |
sodium 6-(5-chloro-2-(4-chlorobenzyloxy)benzyl)picolinate
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| Structure |
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| Formula |
C20H14Cl2NNaO3
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| Molecular Weight |
410.232
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| Canonical SMILES |
O=C([O-])c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2)n1.[Na+]
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| InChI |
InChI=1S/C20H15Cl2NO3.Na/c21-15-6-4-13(5-7-15)12-26-19-9-8-16(22)10-14(19)11-17-2-1-3-18(23-17)20(24)25;/h1-10H,11-12H2,(H,24,25);/q;+1/p-1
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| InChIKey |
UVFPJNWCAUNHKL-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