General Information of the Compound
| Compound ID |
CP0512579
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| Compound Name |
(2S,3R,4R,5S,6R)-2-[3-[[4-(2-but-2-ynoxyethoxy)phenyl]methyl]-4-chlorophenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
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| Structure |
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| Formula |
C25H29ClO7
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| Molecular Weight |
476.953
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| Canonical SMILES |
CC#CCOCCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
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| InChI |
InChI=1S/C25H29ClO7/c1-2-3-10-31-11-12-32-19-7-4-16(5-8-19)13-18-14-17(6-9-20(18)26)25-24(30)23(29)22(28)21(15-27)33-25/h4-9,14,21-25,27-30H,10-13,15H2,1H3/t21-,22-,23+,24-,25+/m1/s1
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| InChIKey |
LYBVLIVIUABQJO-RXFVIIJJSA-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