General Information of the Compound
| Compound ID |
CP0487128
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| Compound Name |
2-{4'-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-pyridin-4-yl)-ethyl]-biphenyl-3-yl}-2-methyl-propionic acid
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| Structure |
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| Formula |
C31H27F4NO5
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| Molecular Weight |
569.551
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| Canonical SMILES |
CC(C)(C(O)=O)c1cccc(c1)-c1ccc(cc1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
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| InChI |
InChI=1S/C31H27F4NO5/c1-31(2,28(37)38)24-5-3-4-22(17-24)20-6-8-21(9-7-20)25(16-19-12-14-36(39)15-13-19)23-10-11-26(40-29(32)33)27(18-23)41-30(34)35/h3-15,17-18,25,29-30H,16H2,1-2H3,(H,37,38)
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| InChIKey |
OYWPKJMMVVHGCE-UHFFFAOYSA-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