General Information of the Compound
| Compound ID |
CP0175182
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| Compound Name |
(2S,3R,4R,5S,6R)-2-(4-Chloro-3-((5-(isoquinolin-3-yl)-1,3,4-thiadiazol-2-yl)methyl)phenyl)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C24H22ClN3O5S
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| Molecular Weight |
499.976
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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)-c2cc3ccccc3cn2)c1
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| InChI |
InChI=1S/C24H22ClN3O5S/c25-16-6-5-13(23-22(32)21(31)20(30)18(11-29)33-23)7-15(16)9-19-27-28-24(34-19)17-8-12-3-1-2-4-14(12)10-26-17/h1-8,10,18,20-23,29-32H,9,11H2/t18-,20-,21+,22-,23+/m1/s1
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| InChIKey |
YTHBFDUHBKYYQI-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