General Information of the Compound
| Compound ID |
CP0376549
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| Compound Name |
2-(2-Chloro-5-((2S,3S,4R,5R,6R)-3,4,5-tris(benzyloxy)-6-(benzyloxymethyl)-tetrahydro-2H-pyran-2-yl)benzyl)-5-(pyrazin-2-yl)-1,3,4-thiadiazole
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| Structure |
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| Formula |
C19H19ClN4O5S
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| Molecular Weight |
450.904
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2nnc(s2)-c2cnccn2)c1
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| InChI |
InChI=1S/C19H19ClN4O5S/c20-11-2-1-9(18-17(28)16(27)15(26)13(8-25)29-18)5-10(11)6-14-23-24-19(30-14)12-7-21-3-4-22-12/h1-5,7,13,15-18,25-28H,6,8H2/t13-,15-,16+,17-,18+/m1/s1
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| InChIKey |
MRNUYBXJUZSKAA-LHKMKVQPSA-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