General Information of the Compound
| Compound ID |
CP0507630
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| Compound Name |
(2S,3R,4S,5S,6R)-2-[1,5-dimethyl-4-[(4-propan-2-yloxyphenyl)methyl]pyrazol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
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| Formula |
C21H30N2O7
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| Molecular Weight |
422.478
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| Canonical SMILES |
CC(C)Oc1ccc(Cc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn(C)c2C)cc1
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| InChI |
InChI=1S/C21H30N2O7/c1-11(2)28-14-7-5-13(6-8-14)9-15-12(3)23(4)22-20(15)30-21-19(27)18(26)17(25)16(10-24)29-21/h5-8,11,16-19,21,24-27H,9-10H2,1-4H3/t16-,17-,18+,19-,21+/m1/s1
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| InChIKey |
ZEGCGQKAJATODU-YRIDSSQKSA-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