General Information of the Compound
| Compound ID |
CP0439723
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| Compound Name |
(2S,3R,4S,5R)-2-[1-[(4-cyclopropylphenyl)methyl]-7-methylindol-3-yl]oxane-3,4,5-triol
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| Structure |
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| Formula |
C24H27NO4
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| Molecular Weight |
393.483
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| Canonical SMILES |
Cc1cccc2c(cn(Cc3ccc(cc3)C3CC3)c12)[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
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| InChI |
InChI=1S/C24H27NO4/c1-14-3-2-4-18-19(24-23(28)22(27)20(26)13-29-24)12-25(21(14)18)11-15-5-7-16(8-6-15)17-9-10-17/h2-8,12,17,20,22-24,26-28H,9-11,13H2,1H3/t20-,22+,23-,24+/m1/s1
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| InChIKey |
WNUKUQQCJQGENF-ONTLXTELSA-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