General Information of the Compound
| Compound ID |
CP0709748
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| Compound Name |
(2S,3S,4S,5R,6S)-6-(((S)-4-(3-Cyano-5-fluorophenoxy)-2,2-difluoro-7-(methylsulfonyl)-2,3-dihydro-1H-inden-1-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic Acid
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| Structure |
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| Formula |
C23H20F3NO10S
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| Molecular Weight |
559.471
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| Canonical SMILES |
CS(=O)(=O)c1ccc(Oc2cc(F)cc(C#N)c2)c2c1[C@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)C(F)(F)C2
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| InChI |
InChI=1S/C23H20F3NO10S/c1-38(33,34)14-3-2-13(35-11-5-9(8-27)4-10(24)6-11)12-7-23(25,26)20(15(12)14)37-22-18(30)16(28)17(29)19(36-22)21(31)32/h2-6,16-20,22,28-30H,7H2,1H3,(H,31,32)/t16-,17-,18+,19-,20-,22-/m0/s1
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| InChIKey |
XGIGYSOPEMLXCF-GFMQMUGXSA-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