General Information of the Compound
| Compound ID |
CP0170631
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| Compound Name |
(S)-2-(4-(3-(2-chloro-4-(methylsulfonyloxy)phenoxy)propoxy)benzyl)-2-methylbutanoic acid
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| Structure |
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| Formula |
C22H27ClO7S
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| Molecular Weight |
470.971
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| Canonical SMILES |
CC[C@@](C)(Cc1ccc(OCCCOc2ccc(OS(C)(=O)=O)cc2Cl)cc1)C(O)=O
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| InChI |
InChI=1S/C22H27ClO7S/c1-4-22(2,21(24)25)15-16-6-8-17(9-7-16)28-12-5-13-29-20-11-10-18(14-19(20)23)30-31(3,26)27/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,24,25)/t22-/m0/s1
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| InChIKey |
HJIBDHCYXJHTBD-QFIPXVFZSA-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