General Information of the Compound
| Compound ID |
CP0373296
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| Compound Name |
(2S,3R,4R,5S,6R)-2-(2-(Allyloxy)-4-chloro-5-((5-(4-fluorophenyl)thiazol-2-yl)methyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C25H25ClFNO6S
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| Molecular Weight |
521.994
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cc(Cc2ncc(s2)-c2ccc(F)cc2)c(Cl)cc1OCC=C
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| InChI |
InChI=1S/C25H25ClFNO6S/c1-2-7-33-18-10-17(26)14(8-16(18)25-24(32)23(31)22(30)19(12-29)34-25)9-21-28-11-20(35-21)13-3-5-15(27)6-4-13/h2-6,8,10-11,19,22-25,29-32H,1,7,9,12H2/t19-,22-,23+,24-,25+/m1/s1
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| InChIKey |
ITUDNEVRUJJFIU-HKNOCEQDSA-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