General Information of the Compound
| Compound ID |
CP0403413
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| Compound Name |
US8980829, 25
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| Structure |
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| Formula |
C27H34ClFO8
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| Molecular Weight |
541.012
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| Canonical SMILES |
CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OCCCC3(F)COC3)cc2Cl)cc1
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| InChI |
InChI=1S/C27H34ClFO8/c1-2-35-18-6-4-16(5-7-18)10-17-11-19(26-25(33)24(32)23(31)22(13-30)37-26)21(12-20(17)28)36-9-3-8-27(29)14-34-15-27/h4-7,11-12,22-26,30-33H,2-3,8-10,13-15H2,1H3/t22-,23-,24+,25-,26+/m1/s1
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| InChIKey |
RQRBSJVEMCAMNY-RTJMFUJLSA-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