General Information of the Compound
| Compound ID |
CP0527241
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| Compound Name |
(2R,3R,4S,5S,6R)-2-[5-[(4-tert-butylphenyl)methyl]-4-methylthiophen-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
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| Structure |
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| Formula |
C22H30O5S
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| Molecular Weight |
406.544
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| Canonical SMILES |
Cc1cc(sc1Cc1ccc(cc1)C(C)(C)C)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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| InChI |
InChI=1S/C22H30O5S/c1-12-9-17(21-20(26)19(25)18(24)15(11-23)27-21)28-16(12)10-13-5-7-14(8-6-13)22(2,3)4/h5-9,15,18-21,23-26H,10-11H2,1-4H3/t15-,18-,19+,20-,21+/m1/s1
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| InChIKey |
JRMIAXVGZDIABG-GRARQNNCSA-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