General Information of the Compound
| Compound ID |
CP0502872
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| Compound Name |
(2S,3R,4R,5S,6R)-2-(3-((5-Allylthiazol-2-yl)methyl)-4-chlorophenyl)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C19H22ClNO5S
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| Molecular Weight |
411.907
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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(CC=C)s2)c1
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| InChI |
InChI=1S/C19H22ClNO5S/c1-2-3-12-8-21-15(27-12)7-11-6-10(4-5-13(11)20)19-18(25)17(24)16(23)14(9-22)26-19/h2,4-6,8,14,16-19,22-25H,1,3,7,9H2/t14-,16-,17+,18-,19+/m1/s1
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| InChIKey |
GYKZETGGBYHDGE-FTWQHDNSSA-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