General Information of the Compound
| Compound ID |
CP0514774
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| Compound Name |
(2R,3S,4R,5R)-2-(Hydroxymethyl)-6-(3-((5-(pyridin-3-yl)-1,3,4-thiadiazol-2-yl)methyl)phenyl)-tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C20H21N3O5S
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| Molecular Weight |
415.471
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| Canonical SMILES |
OC[C@H]1O[C@@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cccc(Cc2nnc(s2)-c2cccnc2)c1
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| InChI |
InChI=1S/C20H21N3O5S/c24-10-14-16(25)17(26)18(27)19(28-14)12-4-1-3-11(7-12)8-15-22-23-20(29-15)13-5-2-6-21-9-13/h1-7,9,14,16-19,24-27H,8,10H2/t14-,16-,17+,18-,19-/m1/s1
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| InChIKey |
YIBZWDUVRPLGDP-IQZDNPOKSA-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