General Information of the Compound
| Compound ID |
CP0434151
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| Compound Name |
(2S,3R,4R,5S,6R)-2-(4-Chloro-3-((5-(5-phenylfuran-2-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 |
C25H23ClN2O6S
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| Molecular Weight |
514.987
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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)-c2ccc(o2)-c2ccccc2)c1
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| InChI |
InChI=1S/C25H23ClN2O6S/c26-16-7-6-14(24-23(32)22(31)21(30)19(12-29)34-24)10-15(16)11-20-27-28-25(35-20)18-9-8-17(33-18)13-4-2-1-3-5-13/h1-10,19,21-24,29-32H,11-12H2/t19-,21-,22+,23-,24+/m1/s1
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| InChIKey |
RGUCICJZAMPSRR-ZXGKGEBGSA-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