General Information of the Compound
| Compound ID |
CP0551760
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| Compound Name |
1-[2-Amino-4-methyl-6-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-phenyl]-3-(4-ethoxy-phenyl)-propan-1-one
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| Structure |
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| Formula |
C24H31NO8
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| Molecular Weight |
461.511
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| Canonical SMILES |
CCOc1ccc(CCC(=O)c2c(N)cc(C)cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
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| InChI |
InChI=1S/C24H31NO8/c1-3-31-15-7-4-14(5-8-15)6-9-17(27)20-16(25)10-13(2)11-18(20)32-24-23(30)22(29)21(28)19(12-26)33-24/h4-5,7-8,10-11,19,21-24,26,28-30H,3,6,9,12,25H2,1-2H3/t19-,21-,22+,23-,24-/m1/s1
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| InChIKey |
JSFDGGQKOKTSOU-PFKOEMKTSA-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