General Information of the Compound
| Compound ID |
CP0541106
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| Compound Name |
(3S,3'R,4'S,5'S,6'R)-6'-methyl-5-[(5-pyridin-2-ylthiophen-2-yl)methyl]spiro[1H-2-benzofuran-3,2'-oxane]-3',4',5'-triol
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| Structure |
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| Formula |
C23H23NO5S
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| Molecular Weight |
425.506
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| Canonical SMILES |
C[C@H]1O[C@]2(OCc3ccc(Cc4ccc(s4)-c4ccccn4)cc23)[C@H](O)[C@@H](O)[C@@H]1O
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| InChI |
InChI=1S/C23H23NO5S/c1-13-20(25)21(26)22(27)23(29-13)17-11-14(5-6-15(17)12-28-23)10-16-7-8-19(30-16)18-4-2-3-9-24-18/h2-9,11,13,20-22,25-27H,10,12H2,1H3/t13-,20-,21+,22-,23+/m1/s1
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| InChIKey |
BHAAPQXDGDSKME-HMXWYGJXSA-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