General Information of the Compound
| Compound ID |
CP0516671
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| Compound Name |
US8980829, 24
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| Structure |
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| Formula |
C25H30ClFO8
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| Molecular Weight |
512.958
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| Canonical SMILES |
CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OCC3(F)COC3)cc2Cl)cc1
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| InChI |
InChI=1S/C25H30ClFO8/c1-2-33-16-5-3-14(4-6-16)7-15-8-17(24-23(31)22(30)21(29)20(10-28)35-24)19(9-18(15)26)34-13-25(27)11-32-12-25/h3-6,8-9,20-24,28-31H,2,7,10-13H2,1H3/t20-,21-,22+,23-,24+/m1/s1
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| InChIKey |
PNFDVSZDYRTJLQ-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