General Information of the Compound
| Compound ID |
CP0447939
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| Compound Name |
N-[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]phenyl]acetamide
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| Structure |
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| Formula |
C21H29N3O7
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| Molecular Weight |
435.477
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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(NC(C)=O)cc1
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| InChI |
InChI=1S/C21H29N3O7/c1-10(2)16-14(8-12-4-6-13(7-5-12)22-11(3)26)20(24-23-16)31-21-19(29)18(28)17(27)15(9-25)30-21/h4-7,10,15,17-19,21,25,27-29H,8-9H2,1-3H3,(H,22,26)(H,23,24)/t15-,17-,18+,19-,21+/m1/s1
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| InChIKey |
JHPKNOZPWYBORM-UVPIGPOJSA-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