General Information of the Compound
| Compound ID |
CP0517809
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| Compound Name |
(3R,4S)-1-[[4-[[3-(benzenesulfonylmethyl)-5-methylphenoxy]methyl]phenyl]methyl]pyrrolidine-3,4-diol
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| Structure |
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| Formula |
C26H29NO5S
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| Molecular Weight |
467.587
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| Canonical SMILES |
Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3C[C@H](O)[C@H](O)C3)cc2)c1
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| InChI |
InChI=1S/C26H29NO5S/c1-19-11-22(18-33(30,31)24-5-3-2-4-6-24)13-23(12-19)32-17-21-9-7-20(8-10-21)14-27-15-25(28)26(29)16-27/h2-13,25-26,28-29H,14-18H2,1H3/t25-,26+
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| InChIKey |
AVMNWMSCOPMWAG-WMPKNSHKSA-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