General Information of the Compound
| Compound ID |
CP0465286
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| Compound Name |
4-[[5-propan-2-yl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-pyrazol-4-yl]methyl]benzamide
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| Structure |
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| Formula |
C20H27N3O7
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| Molecular Weight |
421.45
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| Canonical SMILES |
CC(C)c1n[nH]c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(cc1)C(N)=O
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| InChI |
InChI=1S/C20H27N3O7/c1-9(2)14-12(7-10-3-5-11(6-4-10)18(21)28)19(23-22-14)30-20-17(27)16(26)15(25)13(8-24)29-20/h3-6,9,13,15-17,20,24-27H,7-8H2,1-2H3,(H2,21,28)(H,22,23)/t13-,15-,16+,17-,20+/m1/s1
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| InChIKey |
XWDNYMJGVWIXSI-RGCXKDKSSA-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