General Information of the Compound
| Compound ID |
CP0051869
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| Compound Name |
2-{3-[1-(4-Methoxy-benzoyl)-2-methyl-5-trifluoromethoxy-1H-indol-3-ylmethyl]-phenoxy}-butyric acid
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| Structure |
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| Formula |
C29H26F3NO6
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| Molecular Weight |
541.522
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| Canonical SMILES |
CCC(Oc1cccc(Cc2c(C)n(C(=O)c3ccc(OC)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
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| InChI |
InChI=1S/C29H26F3NO6/c1-4-26(28(35)36)38-21-7-5-6-18(14-21)15-23-17(2)33(27(34)19-8-10-20(37-3)11-9-19)25-13-12-22(16-24(23)25)39-29(30,31)32/h5-14,16,26H,4,15H2,1-3H3,(H,35,36)
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| InChIKey |
XTHHGKZVXMNJNA-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