General Information of the Compound
| Compound ID |
CP0376616
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| Compound Name |
(2S,3R,4R,5S,6R)-2-(3-(4-ethylbenzyl)-1H-indol-5-yl)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C23H27NO5
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| Molecular Weight |
397.471
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| Canonical SMILES |
CCc1ccc(Cc2c[nH]c3ccc(cc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
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| InChI |
InChI=1S/C23H27NO5/c1-2-13-3-5-14(6-4-13)9-16-11-24-18-8-7-15(10-17(16)18)23-22(28)21(27)20(26)19(12-25)29-23/h3-8,10-11,19-28H,2,9,12H2,1H3/t19-,20-,21+,22-,23+/m1/s1
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| InChIKey |
JUKBYZVOZNYJIY-ZQGJOIPISA-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