General Information of the Compound
| Compound ID |
CP0497497
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| Compound Name |
(2S,3R,4S,5S,6R)-2-[3-(2-Fluoro-biphenyl-4-ylmethyl)-1H-indol-4-yloxy]-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol
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| Structure |
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| Formula |
C27H26FNO6
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| Molecular Weight |
479.504
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| Canonical SMILES |
OC[C@H]1O[C@@H](Oc2cccc3[nH]cc(Cc4ccc(c(F)c4)-c4ccccc4)c23)[C@H](O)[C@@H](O)[C@@H]1O
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| InChI |
InChI=1S/C27H26FNO6/c28-19-12-15(9-10-18(19)16-5-2-1-3-6-16)11-17-13-29-20-7-4-8-21(23(17)20)34-27-26(33)25(32)24(31)22(14-30)35-27/h1-10,12-13,22,24-27,29-33H,11,14H2/t22-,24-,25+,26-,27-/m1/s1
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| InChIKey |
WLCPFLRMTKFILZ-UIKHAHSZSA-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