General Information of the Compound
Compound ID |
CP0428903
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Compound Name |
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[3-(pyrazin-2-ylmethyl)phenyl]oxane-3,4,5-triol
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Structure |
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Formula |
C17H20N2O5
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Molecular Weight |
332.356
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Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cccc(Cc2cnccn2)c1
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InChI |
InChI=1S/C17H20N2O5/c20-9-13-14(21)15(22)16(23)17(24-13)11-3-1-2-10(6-11)7-12-8-18-4-5-19-12/h1-6,8,13-17,20-23H,7,9H2/t13-,14-,15+,16-,17+/m1/s1
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InChIKey |
ILFZRYWKCLJIMC-UUAJXVIYSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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