General Information of the Compound
| Compound ID |
CP0524069
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| Compound Name |
(2S,3R,4R,5S,6R)-2-(4-chloro-3-((5-heptylthiazol-2-yl)methyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C23H32ClNO5S
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| Molecular Weight |
470.031
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| Canonical SMILES |
CCCCCCCc1cnc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)s1
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| InChI |
InChI=1S/C23H32ClNO5S/c1-2-3-4-5-6-7-16-12-25-19(31-16)11-15-10-14(8-9-17(15)24)23-22(29)21(28)20(27)18(13-26)30-23/h8-10,12,18,20-23,26-29H,2-7,11,13H2,1H3/t18-,20-,21+,22-,23+/m1/s1
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| InChIKey |
ZFVGUFSBXHKNSP-IFPLKCGESA-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