General Information of the Compound
| Compound ID |
CP0393318
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| Compound Name |
[2-[[5-[(2S,3R,4R,5S,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-4-methoxy-2-methylphenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(1,3-thiazol-2-yl)methanone
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| Structure |
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| Formula |
C26H29FN2O6S2
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| Molecular Weight |
548.658
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| Canonical SMILES |
COc1cc(C)c(Cc2cc3CN(CCc3s2)C(=O)c2nccs2)cc1[C@@H]1O[C@H](CO)[C@@H](F)[C@H](O)[C@H]1O
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| InChI |
InChI=1S/C26H29FN2O6S2/c1-13-7-18(34-2)17(24-23(32)22(31)21(27)19(12-30)35-24)10-14(13)8-16-9-15-11-29(5-3-20(15)37-16)26(33)25-28-4-6-36-25/h4,6-7,9-10,19,21-24,30-32H,3,5,8,11-12H2,1-2H3/t19-,21-,22+,23-,24+/m1/s1
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| InChIKey |
BLFZECRQISKCID-ZXGKGEBGSA-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