General Information of the Compound
| Compound ID |
CP0326099
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| Compound Name |
(2S,3R,4R,5S,6R)-2-(4-Chloro-3-((5-propyl-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 |
C18H23ClN2O5S
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| Molecular Weight |
414.911
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| Canonical SMILES |
CCCc1nnc(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/C18H23ClN2O5S/c1-2-3-13-20-21-14(27-13)7-10-6-9(4-5-11(10)19)18-17(25)16(24)15(23)12(8-22)26-18/h4-6,12,15-18,22-25H,2-3,7-8H2,1H3/t12-,15-,16+,17-,18+/m1/s1
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| InChIKey |
WCABKJAVWMAUKO-CUWKQTPXSA-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