General Information of the Compound
| Compound ID |
CP0890928
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| Compound Name |
sodium 6-(5-chloro-2-isobutoxybenzyl)picolinate
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| Structure |
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| Formula |
C17H17ClNNaO3
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| Molecular Weight |
341.77
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| Canonical SMILES |
CC(C)COc1ccc(Cl)cc1Cc1cccc(C(=O)[O-])n1.[Na+]
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| InChI |
InChI=1S/C17H18ClNO3.Na/c1-11(2)10-22-16-7-6-13(18)8-12(16)9-14-4-3-5-15(19-14)17(20)21;/h3-8,11H,9-10H2,1-2H3,(H,20,21);/q;+1/p-1
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| InChIKey |
CAZPOCQNDDDFJU-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