General Information of the Compound
| Compound ID |
CP0451816
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| Compound Name |
1-[4-Fluoro-2-hydroxy-6-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-phenyl]-3-naphthalen-2-yl-propan-1-one
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| Structure |
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| Formula |
C25H25FO8
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| Molecular Weight |
472.465
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| Canonical SMILES |
OC[C@H]1O[C@@H](Oc2cc(F)cc(O)c2C(=O)CCc2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@@H]1O
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| InChI |
InChI=1S/C25H25FO8/c26-16-10-18(29)21(17(28)8-6-13-5-7-14-3-1-2-4-15(14)9-13)19(11-16)33-25-24(32)23(31)22(30)20(12-27)34-25/h1-5,7,9-11,20,22-25,27,29-32H,6,8,12H2/t20-,22-,23+,24-,25-/m1/s1
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| InChIKey |
XVBIDTMBHOOAMG-PRDVQWLOSA-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