General Information of the Compound
| Compound ID |
CP0541252
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| Compound Name |
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-methyl-3-[(5-pyridin-3-ylthiophen-2-yl)methyl]phenyl]oxane-3,4,5-triol
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| Structure |
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| Formula |
C23H25NO5S
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| Molecular Weight |
427.522
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| Canonical SMILES |
Cc1ccc(cc1Cc1ccc(s1)-c1cccnc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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| InChI |
InChI=1S/C23H25NO5S/c1-13-4-5-14(23-22(28)21(27)20(26)18(12-25)29-23)9-16(13)10-17-6-7-19(30-17)15-3-2-8-24-11-15/h2-9,11,18,20-23,25-28H,10,12H2,1H3/t18-,20-,21+,22-,23+/m1/s1
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| InChIKey |
CONNDCLCLLMVFT-IFPLKCGESA-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