General Information of the Compound
| Compound ID |
CP0443185
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| Compound Name |
(3S)-3-(1-methylimidazol-2-yl)-3-[4-[[3-(2-methylsulfonylphenyl)phenyl]methoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C27H26N2O5S
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| Molecular Weight |
490.581
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| Canonical SMILES |
Cn1ccnc1[C@@H](CC(O)=O)c1ccc(OCc2cccc(c2)-c2ccccc2S(C)(=O)=O)cc1
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| InChI |
InChI=1S/C27H26N2O5S/c1-29-15-14-28-27(29)24(17-26(30)31)20-10-12-22(13-11-20)34-18-19-6-5-7-21(16-19)23-8-3-4-9-25(23)35(2,32)33/h3-16,24H,17-18H2,1-2H3,(H,30,31)/t24-/m0/s1
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| InChIKey |
FPSMBJBKKLSKMH-DEOSSOPVSA-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