General Information of the Compound
| Compound ID |
CP0499717
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| Compound Name |
3-(4-fluorophenyl)-1-[2,4,6-trihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]propan-1-one
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| Structure |
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| Formula |
C21H23FO9
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| Molecular Weight |
438.404
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc(O)c(C(=O)CCc2ccc(F)cc2)c1O
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| InChI |
InChI=1S/C21H23FO9/c22-10-4-1-9(2-5-10)3-6-11(24)15-12(25)7-13(26)16(18(15)28)21-20(30)19(29)17(27)14(8-23)31-21/h1-2,4-5,7,14,17,19-21,23,25-30H,3,6,8H2/t14-,17-,19+,20-,21+/m1/s1
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| InChIKey |
IQOWJJZIXDSATC-VJXVFPJBSA-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
Protein ID: PT03804, Sodium/glucose cotransporter 1
Protein ID: PT02415, Sodium/glucose cotransporter 2