General Information of the Compound
| Compound ID |
CP0082633
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| Compound Name |
(2S,3R,4R,5S,6R)-2-(4-chloro-3-((6-(5-methylthiophen-2-yl)pyridazin-3-yl)methyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C22H23ClN2O5S
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| Molecular Weight |
462.955
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| Canonical SMILES |
Cc1ccc(s1)-c1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)nn1
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| InChI |
InChI=1S/C22H23ClN2O5S/c1-11-2-7-18(31-11)16-6-4-14(24-25-16)9-13-8-12(3-5-15(13)23)22-21(29)20(28)19(27)17(10-26)30-22/h2-8,17,19-22,26-29H,9-10H2,1H3/t17-,19-,20+,21-,22+/m1/s1
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| InChIKey |
PVEDKPWLRNMVDV-VOFPXKNKSA-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