General Information of the Compound
| Compound ID |
CP0659705
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| Compound Name |
sodium 2-(2-(benzyloxy)-5-chlorophenylamino)thiazole-4-carboxylate
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| Structure |
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| Formula |
C17H12ClN2NaO3S
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| Molecular Weight |
382.804
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| Canonical SMILES |
O=C([O-])c1csc(Nc2cc(Cl)ccc2OCc2ccccc2)n1.[Na+]
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| InChI |
InChI=1S/C17H13ClN2O3S.Na/c18-12-6-7-15(23-9-11-4-2-1-3-5-11)13(8-12)19-17-20-14(10-24-17)16(21)22;/h1-8,10H,9H2,(H,19,20)(H,21,22);/q;+1/p-1
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| InChIKey |
PAQXGELVVCTECD-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