General Information of the Compound
| Compound ID |
CP0508823
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| Compound Name |
(2S,3R,4R,5R)-2-[4-chloro-3-[(6-methoxynaphthalen-2-yl)methyl]phenyl]-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol
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| Structure |
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| Formula |
C24H25ClO6
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| Molecular Weight |
444.911
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| Canonical SMILES |
COc1ccc2cc(Cc3cc(ccc3Cl)[C@@H]3O[C@H]([C@H](O)CO)[C@H](O)[C@H]3O)ccc2c1
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| InChI |
InChI=1S/C24H25ClO6/c1-30-18-6-4-14-8-13(2-3-15(14)11-18)9-17-10-16(5-7-19(17)25)23-21(28)22(29)24(31-23)20(27)12-26/h2-8,10-11,20-24,26-29H,9,12H2,1H3/t20-,21-,22-,23+,24-/m1/s1
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| InChIKey |
XUYQOPLPMAPUTP-ZSXJVMONSA-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