General Information of the Compound
| Compound ID |
CP0505498
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| Compound Name |
3-[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]propanamide
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| Structure |
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| Formula |
C22H31N3O7
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| Molecular Weight |
449.504
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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(CCC(N)=O)cc1
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| InChI |
InChI=1S/C22H31N3O7/c1-11(2)17-14(9-13-5-3-12(4-6-13)7-8-16(23)27)21(25-24-17)32-22-20(30)19(29)18(28)15(10-26)31-22/h3-6,11,15,18-20,22,26,28-30H,7-10H2,1-2H3,(H2,23,27)(H,24,25)/t15-,18-,19+,20-,22+/m1/s1
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| InChIKey |
JSKDIDNNRYFOOL-PGPONNFDSA-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