General Information of the Compound
| Compound ID |
CP0173166
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| Compound Name |
(2S,3R,4R,5S,6R)-2-(4-chloro-3-((6-(4-fluorophenyl)pyridazin-3-yl)methyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C23H22ClFN2O5
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| Molecular Weight |
460.889
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(nn2)-c2ccc(F)cc2)c1
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| InChI |
InChI=1S/C23H22ClFN2O5/c24-17-7-3-13(23-22(31)21(30)20(29)19(11-28)32-23)9-14(17)10-16-6-8-18(27-26-16)12-1-4-15(25)5-2-12/h1-9,19-23,28-31H,10-11H2/t19-,20-,21+,22-,23+/m1/s1
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| InChIKey |
KIWLHMCENZSFQB-ZQGJOIPISA-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