General Information of the Compound
| Compound ID |
CP0485716
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| Compound Name |
1-[2-Amino-4-methyl-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 |
C26H29NO7
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| Molecular Weight |
467.518
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| Canonical SMILES |
Cc1cc(N)c(C(=O)CCc2ccc3ccccc3c2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
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| InChI |
InChI=1S/C26H29NO7/c1-14-10-18(27)22(19(29)9-7-15-6-8-16-4-2-3-5-17(16)12-15)20(11-14)33-26-25(32)24(31)23(30)21(13-28)34-26/h2-6,8,10-12,21,23-26,28,30-32H,7,9,13,27H2,1H3/t21-,23-,24+,25-,26-/m1/s1
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| InChIKey |
WKPBVEUJSMWTPM-XDXGNBCUSA-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