General Information of the Compound
| Compound ID |
CP0508470
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| Compound Name |
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[[4-(2-cyclohexyloxyethoxy)phenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
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| Structure |
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| Formula |
C27H35ClO7
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| Molecular Weight |
507.023
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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(OCCOC3CCCCC3)cc2)c1
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| InChI |
InChI=1S/C27H35ClO7/c28-22-11-8-18(27-26(32)25(31)24(30)23(16-29)35-27)15-19(22)14-17-6-9-21(10-7-17)34-13-12-33-20-4-2-1-3-5-20/h6-11,15,20,23-27,29-32H,1-5,12-14,16H2/t23-,24-,25+,26-,27+/m1/s1
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| InChIKey |
PFPDGTCGMHMTSH-SEFGFODJSA-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