General Information of the Compound
| Compound ID |
CP0326096
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| Compound Name |
(2S,3R,4R,5S,6R)-2-(4-Chloro-3-((5-(thiazol-4-yl)-1,3,4-thiadiazol-2-yl)methyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C18H18ClN3O5S2
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| Molecular Weight |
455.945
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2nnc(s2)-c2cscn2)c1
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| InChI |
InChI=1S/C18H18ClN3O5S2/c19-10-2-1-8(17-16(26)15(25)14(24)12(5-23)27-17)3-9(10)4-13-21-22-18(29-13)11-6-28-7-20-11/h1-3,6-7,12,14-17,23-26H,4-5H2/t12-,14-,15+,16-,17+/m1/s1
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| InChIKey |
MGQSCDIVXBPLBY-CMZRPVNOSA-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