General Information of the Compound
| Compound ID |
CP0226253
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| Compound Name |
(2S,3R,4R,5S,6R)-2-(4-chloro-3-((6-(3-methoxyphenyl)pyridazin-3-yl)methyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C24H25ClN2O6
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| Molecular Weight |
472.925
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| Canonical SMILES |
COc1cccc(c1)-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/C24H25ClN2O6/c1-32-17-4-2-3-13(11-17)19-8-6-16(26-27-19)10-15-9-14(5-7-18(15)25)24-23(31)22(30)21(29)20(12-28)33-24/h2-9,11,20-24,28-31H,10,12H2,1H3/t20-,21-,22+,23-,24+/m1/s1
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| InChIKey |
DLLHEMSQLDZUNS-SJSRKZJXSA-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