General Information of the Compound
| Compound ID |
CP0527638
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| Compound Name |
(2S,3R,4S,5S,6R)-2-[1-ethyl-5-methyl-4-[(4-propan-2-yloxyphenyl)methyl]pyrazol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
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| Structure |
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| Formula |
C22H32N2O7
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| Molecular Weight |
436.505
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| Canonical SMILES |
CCn1nc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(Cc2ccc(OC(C)C)cc2)c1C
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| InChI |
InChI=1S/C22H32N2O7/c1-5-24-13(4)16(10-14-6-8-15(9-7-14)29-12(2)3)21(23-24)31-22-20(28)19(27)18(26)17(11-25)30-22/h6-9,12,17-20,22,25-28H,5,10-11H2,1-4H3/t17-,18-,19+,20-,22+/m1/s1
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| InChIKey |
LYUBJYPLHJGTOJ-JPVHLGFFSA-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