General Information of the Compound
| Compound ID |
CP0530035
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| Compound Name |
(2S,3R,4R,5S,6R)-2-(3-(2,5'-Bithiazol-2'-ylmethyl)-4-chlorophenyl)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C19H19ClN2O5S2
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| Molecular Weight |
454.957
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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)-c2nccs2)c1
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| InChI |
InChI=1S/C19H19ClN2O5S2/c20-11-2-1-9(18-17(26)16(25)15(24)12(8-23)27-18)5-10(11)6-14-22-7-13(29-14)19-21-3-4-28-19/h1-5,7,12,15-18,23-26H,6,8H2/t12-,15-,16+,17-,18+/m1/s1
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| InChIKey |
LFHXPIKLDAISIJ-CUWKQTPXSA-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