General Information of the Compound
| Compound ID |
CP0501311
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| Compound Name |
(2R,3S,4R,5R,6S)-2-((1H-1,2,4-triazol-1-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 |
C22H21ClN4O5S
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| Molecular Weight |
488.953
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| Canonical SMILES |
O[C@@H]1[C@@H](Cn2cncn2)O[C@H]([C@H](O)[C@H]1O)c1ccc(Cl)c(Cc2ncc(s2)-c2ccco2)c1
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| InChI |
InChI=1S/C22H21ClN4O5S/c23-14-4-3-12(6-13(14)7-18-25-8-17(33-18)15-2-1-5-31-15)22-21(30)20(29)19(28)16(32-22)9-27-11-24-10-26-27/h1-6,8,10-11,16,19-22,28-30H,7,9H2/t16-,19-,20+,21-,22+/m1/s1
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| InChIKey |
TVZXNRBSXOWPLP-OSKXVONFSA-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