General Information of the Compound
| Compound ID |
CP0544079
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| Compound Name |
2-(2-chloro-5-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)benzyl)thiazole-5-carboxylic acid
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| Structure |
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| Formula |
C17H18ClNO7S
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| Molecular Weight |
415.851
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ncc(s2)C(O)=O)c1
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| InChI |
InChI=1S/C17H18ClNO7S/c18-9-2-1-7(16-15(23)14(22)13(21)10(6-20)26-16)3-8(9)4-12-19-5-11(27-12)17(24)25/h1-3,5,10,13-16,20-23H,4,6H2,(H,24,25)/t10-,13-,14+,15-,16+/m1/s1
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| InChIKey |
PTSXBJXWAXOVBV-IRHMCKRBSA-N
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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