General Information of the Compound
| Compound ID |
CP0406211
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| Compound Name |
US8980829, 9
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| Structure |
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| Formula |
C24H28ClFO7
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| Molecular Weight |
482.932
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(OCCC3(F)COC3)cc2)c1
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| InChI |
InChI=1S/C24H28ClFO7/c25-18-6-3-15(23-22(30)21(29)20(28)19(11-27)33-23)10-16(18)9-14-1-4-17(5-2-14)32-8-7-24(26)12-31-13-24/h1-6,10,19-23,27-30H,7-9,11-13H2/t19-,20-,21+,22-,23+/m1/s1
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| InChIKey |
LKPHZHJFTJHMBH-ZQGJOIPISA-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