General Information of the Compound
| Compound ID |
CP0906801
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| Compound Name |
sodium 6-(5-chloro-2-(cyclohexylmethoxy)benzyl)picolinate
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| Structure |
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| Formula |
C20H21ClNNaO3
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| Molecular Weight |
381.835
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| Canonical SMILES |
O=C([O-])c1cccc(Cc2cc(Cl)ccc2OCC2CCCCC2)n1.[Na+]
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| InChI |
InChI=1S/C20H22ClNO3.Na/c21-16-9-10-19(25-13-14-5-2-1-3-6-14)15(11-16)12-17-7-4-8-18(22-17)20(23)24;/h4,7-11,14H,1-3,5-6,12-13H2,(H,23,24);/q;+1/p-1
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| InChIKey |
ZSHMRRWEZNEQHL-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