General Information of the Compound
| Compound ID |
CP0513204
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| Compound Name |
(2S,3R,4R,5S,6R)-2-(4-chloro-2-(hydroxymethyl)-5-((5-(thiophen-3-yl)thiazol-2-yl)methyl)phenyl)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C21H22ClNO6S2
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| Molecular Weight |
483.995
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cc(Cc2ncc(s2)-c2ccsc2)c(Cl)cc1CO
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| InChI |
InChI=1S/C21H22ClNO6S2/c22-14-4-12(7-24)13(21-20(28)19(27)18(26)15(8-25)29-21)3-11(14)5-17-23-6-16(31-17)10-1-2-30-9-10/h1-4,6,9,15,18-21,24-28H,5,7-8H2/t15-,18-,19+,20-,21+/m1/s1
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| InChIKey |
BHNZGNMCVJGEPF-GRARQNNCSA-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