General Information of the Compound
| Compound ID |
CP0503144
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| Compound Name |
(2R,3R,4S,5S,6R)-2-[5-chloro-4-[(4-cyclopentyloxyphenyl)methyl]thiophen-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
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| Structure |
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| Formula |
C22H27ClO6S
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| Molecular Weight |
454.972
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cc(Cc2ccc(OC3CCCC3)cc2)c(Cl)s1
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| InChI |
InChI=1S/C22H27ClO6S/c23-22-13(9-12-5-7-15(8-6-12)28-14-3-1-2-4-14)10-17(30-22)21-20(27)19(26)18(25)16(11-24)29-21/h5-8,10,14,16,18-21,24-27H,1-4,9,11H2/t16-,18-,19+,20-,21+/m1/s1
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| InChIKey |
AJSOYBDIYHFPDU-RQXATKFSSA-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