General Information of the Compound
| Compound ID |
CP0538916
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| Compound Name |
US8980829, 23
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| Structure |
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| Formula |
C25H30ClFO7
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| Molecular Weight |
496.959
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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(OCCCC3(F)COC3)cc2)c1
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| InChI |
InChI=1S/C25H30ClFO7/c26-19-7-4-16(24-23(31)22(30)21(29)20(12-28)34-24)11-17(19)10-15-2-5-18(6-3-15)33-9-1-8-25(27)13-32-14-25/h2-7,11,20-24,28-31H,1,8-10,12-14H2/t20-,21-,22+,23-,24+/m1/s1
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| InChIKey |
BCHNVDSGXFJQJL-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