General Information of the Compound
| Compound ID |
CP0556609
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| Compound Name |
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[5-methyl-4-[(4-propan-2-yloxyphenyl)methyl]-1-propylpyrazol-3-yl]oxyoxane-3,4,5-triol
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| Structure |
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| Formula |
C23H34N2O7
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| Molecular Weight |
450.532
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| Canonical SMILES |
CCCn1nc(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/C23H34N2O7/c1-5-10-25-14(4)17(11-15-6-8-16(9-7-15)30-13(2)3)22(24-25)32-23-21(29)20(28)19(27)18(12-26)31-23/h6-9,13,18-21,23,26-29H,5,10-12H2,1-4H3/t18-,19-,20+,21-,23+/m1/s1
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| InChIKey |
IFJMLDQRJZAXGJ-VZWAGXQNSA-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