General Information of the Compound
| Compound ID |
CP0383398
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| Compound Name |
(2S,3R,4R,5S,6R)-2-(4-chloro-3-((6-(phenylethynyl)pyridazin-3-yl)methyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C25H23ClN2O5
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| Molecular Weight |
466.921
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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)C#Cc2ccccc2)c1
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| InChI |
InChI=1S/C25H23ClN2O5/c26-20-11-7-16(25-24(32)23(31)22(30)21(14-29)33-25)12-17(20)13-19-10-9-18(27-28-19)8-6-15-4-2-1-3-5-15/h1-5,7,9-12,21-25,29-32H,13-14H2/t21-,22-,23+,24-,25+/m1/s1
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| InChIKey |
UCEOSNLLFXOQFK-RXFVIIJJSA-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