General Information of the Compound
| Compound ID |
CP0522291
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| Compound Name |
(2R,3S,4R,5R,6S)-2-((2H-tetrazol-2-yl)methyl)-6-(4-chloro-3-((5-(furan-2-yl)thiazol-2-yl)methyl)phenyl)tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C21H20ClN5O5S
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| Molecular Weight |
489.941
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| Canonical SMILES |
O[C@@H]1[C@@H](Cn2ncnn2)O[C@H]([C@H](O)[C@H]1O)c1ccc(Cl)c(Cc2ncc(s2)-c2ccco2)c1
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| InChI |
InChI=1S/C21H20ClN5O5S/c22-13-4-3-11(6-12(13)7-17-23-8-16(33-17)14-2-1-5-31-14)21-20(30)19(29)18(28)15(32-21)9-27-25-10-24-26-27/h1-6,8,10,15,18-21,28-30H,7,9H2/t15-,18-,19+,20-,21+/m1/s1
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| InChIKey |
YNIGJIRJNKGCOQ-GRARQNNCSA-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