General Information of the Compound
| Compound ID |
CP0766472
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| Compound Name |
sodium 2-(2-(benzyloxy)-5-chlorobenzyl)thiazole-4-carboxylate
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| Structure |
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| Formula |
C18H13ClNNaO3S
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| Molecular Weight |
381.816
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| Canonical SMILES |
O=C([O-])c1csc(Cc2cc(Cl)ccc2OCc2ccccc2)n1.[Na+]
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| InChI |
InChI=1S/C18H14ClNO3S.Na/c19-14-6-7-16(23-10-12-4-2-1-3-5-12)13(8-14)9-17-20-15(11-24-17)18(21)22;/h1-8,11H,9-10H2,(H,21,22);/q;+1/p-1
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| InChIKey |
DTGIAZRHBDCSRZ-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