General Information of the Compound
| Compound ID |
CP0444290
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| Compound Name |
(2R,3R,4S,5S,6R)-2-[3-[(4-cyclopropylphenyl)methyl]-4-methylindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
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| Structure |
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| Formula |
C25H29NO5
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| Molecular Weight |
423.509
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| Canonical SMILES |
Cc1cccc2n(cc(Cc3ccc(cc3)C3CC3)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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| InChI |
InChI=1S/C25H29NO5/c1-14-3-2-4-19-21(14)18(11-15-5-7-16(8-6-15)17-9-10-17)12-26(19)25-24(30)23(29)22(28)20(13-27)31-25/h2-8,12,17,20,22-25,27-30H,9-11,13H2,1H3/t20-,22-,23+,24-,25-/m1/s1
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| InChIKey |
PGWYHQLQLNCJMZ-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