General Information of the Compound
| Compound ID |
CP0516856
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| Compound Name |
(2S,3R,4R,5S,6R)-2-(3-((5-(biphenyl-4-yl)thiazol-2-yl)methyl)-4-chlorophenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C28H26ClNO5S
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| Molecular Weight |
524.038
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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)-c2ccc(cc2)-c2ccccc2)c1
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| InChI |
InChI=1S/C28H26ClNO5S/c29-21-11-10-19(28-27(34)26(33)25(32)22(15-31)35-28)12-20(21)13-24-30-14-23(36-24)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-12,14,22,25-28,31-34H,13,15H2/t22-,25-,26+,27-,28+/m1/s1
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| InChIKey |
SYGZLKIPTLXLHI-WZJDRPDSSA-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