General Information of the Compound
| Compound ID |
CP0564205
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| Compound Name |
(2S,3R,4R,5S,6R)-2-[7-[(4-ethylphenyl)methyl]-2,3-dihydro-1H-inden-5-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
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| Structure |
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| Formula |
C24H30O5
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| Molecular Weight |
398.499
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| Canonical SMILES |
CCc1ccc(Cc2cc(cc3CCCc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
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| InChI |
InChI=1S/C24H30O5/c1-2-14-6-8-15(9-7-14)10-17-12-18(11-16-4-3-5-19(16)17)24-23(28)22(27)21(26)20(13-25)29-24/h6-9,11-12,20-28H,2-5,10,13H2,1H3/t20-,21-,22+,23-,24+/m1/s1
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| InChIKey |
OVFHLFVDLPPVNL-SJSRKZJXSA-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