General Information of the Compound
| Compound ID |
CP0495872
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| Compound Name |
(2S,3R,4R,5S,6R)-2-(4-chloro-3-((4,5-dimethyl-6-(methylthio)pyridazin-3-yl)methyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C20H25ClN2O5S
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| Molecular Weight |
440.949
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| Canonical SMILES |
CSc1nnc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(C)c1C
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| InChI |
InChI=1S/C20H25ClN2O5S/c1-9-10(2)20(29-3)23-22-14(9)7-12-6-11(4-5-13(12)21)19-18(27)17(26)16(25)15(8-24)28-19/h4-6,15-19,24-27H,7-8H2,1-3H3/t15-,16-,17+,18-,19+/m1/s1
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| InChIKey |
JPWOQYHMCWLWDM-FQBWVUSXSA-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