General Information of the Compound
| Compound ID |
CP0255699
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| Compound Name |
(2S,3R,4R,5S,6R)-2-(3-((6-butylpyridazin-3-yl)methyl)-4-chlorophenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C21H27ClN2O5
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| Molecular Weight |
422.909
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| Canonical SMILES |
CCCCc1ccc(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/C21H27ClN2O5/c1-2-3-4-14-6-7-15(24-23-14)10-13-9-12(5-8-16(13)22)21-20(28)19(27)18(26)17(11-25)29-21/h5-9,17-21,25-28H,2-4,10-11H2,1H3/t17-,18-,19+,20-,21+/m1/s1
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| InChIKey |
CAGCXUTXUBWJIU-ADAARDCZSA-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