General Information of the Compound
| Compound ID |
CP0490448
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| Compound Name |
(2S,3R,4R,5S,6R)-2-[3-(1,3-benzothiazol-2-ylmethyl)phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
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| Structure |
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| Formula |
C20H21NO5S
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| Molecular Weight |
387.457
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cccc(Cc2nc3ccccc3s2)c1
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| InChI |
InChI=1S/C20H21NO5S/c22-10-14-17(23)18(24)19(25)20(26-14)12-5-3-4-11(8-12)9-16-21-13-6-1-2-7-15(13)27-16/h1-8,14,17-20,22-25H,9-10H2/t14-,17-,18+,19-,20+/m1/s1
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| InChIKey |
UMAHNMOJTYTBHJ-QSWMPLQWSA-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