General Information of the Compound
| Compound ID |
CP0226254
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| Compound Name |
(2S,3R,4R,5S,6R)-2-(4-chloro-3-((6-pentylpyridazin-3-yl)methyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C22H29ClN2O5
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| Molecular Weight |
436.936
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| Canonical SMILES |
CCCCCc1ccc(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/C22H29ClN2O5/c1-2-3-4-5-15-7-8-16(25-24-15)11-14-10-13(6-9-17(14)23)22-21(29)20(28)19(27)18(12-26)30-22/h6-10,18-22,26-29H,2-5,11-12H2,1H3/t18-,19-,20+,21-,22+/m1/s1
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| InChIKey |
DLXNENUFWSRJBX-BDHVOXNPSA-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