General Information of the Compound
| Compound ID |
CP0504874
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| Compound Name |
(2S,3R,4S,5R)-2-[7-fluoro-1-[(4-methoxyphenyl)methyl]indol-3-yl]oxane-3,4,5-triol
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| Structure |
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| Formula |
C21H22FNO5
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| Molecular Weight |
387.407
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| Canonical SMILES |
COc1ccc(Cn2cc([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c3cccc(F)c23)cc1
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| InChI |
InChI=1S/C21H22FNO5/c1-27-13-7-5-12(6-8-13)9-23-10-15(14-3-2-4-16(22)18(14)23)21-20(26)19(25)17(24)11-28-21/h2-8,10,17,19-21,24-26H,9,11H2,1H3/t17-,19+,20-,21+/m1/s1
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| InChIKey |
PZZGKXJPYOGYAL-PMXSJFBMSA-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