General Information of the Compound
| Compound ID |
CP0508346
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| Compound Name |
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[[4-(cyclopropyloxymethyl)phenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
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| Structure |
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| Formula |
C23H27ClO6
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| Molecular Weight |
434.916
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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(COC3CC3)cc2)c1
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| InChI |
InChI=1S/C23H27ClO6/c24-18-8-5-15(23-22(28)21(27)20(26)19(11-25)30-23)10-16(18)9-13-1-3-14(4-2-13)12-29-17-6-7-17/h1-5,8,10,17,19-23,25-28H,6-7,9,11-12H2/t19-,20-,21+,22-,23+/m1/s1
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| InChIKey |
JOQBUHVGWJZKND-ZQGJOIPISA-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