General Information of the Compound
| Compound ID |
CP0523649
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| Compound Name |
(2S,3R,4R,5S,6S)-2-(4-chloro-3-((5-(furan-2-yl)thiazol-2-yl)methyl)phenyl)-6-(1-hydroxycyclopropyl)tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C22H22ClNO6S
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| Molecular Weight |
463.939
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| Canonical SMILES |
O[C@@H]1[C@@H](O)[C@@H](O[C@@H]([C@H]1O)C1(O)CC1)c1ccc(Cl)c(Cc2ncc(s2)-c2ccco2)c1
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| InChI |
InChI=1S/C22H22ClNO6S/c23-13-4-3-11(20-18(26)17(25)19(27)21(30-20)22(28)5-6-22)8-12(13)9-16-24-10-15(31-16)14-2-1-7-29-14/h1-4,7-8,10,17-21,25-28H,5-6,9H2/t17-,18-,19+,20+,21+/m1/s1
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| InChIKey |
MMQLBXHQPGPQNJ-MJCUULBUSA-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