General Information of the Compound
| Compound ID |
CP0254794
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| Compound Name |
2-ethyl-2-{4-[3-(7-propyl-3-trifluoromethylbenzo[d]isoxazol-6-yloxy)propoxy]-1H-indol-1-yl}ethanoic acid
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| Structure |
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| Formula |
C26H27F3N2O5
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| Molecular Weight |
504.505
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| Canonical SMILES |
CCCc1c(OCCCOc2cccc3n(ccc23)C(CC)C(O)=O)ccc2c(noc12)C(F)(F)F
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| InChI |
InChI=1S/C26H27F3N2O5/c1-3-7-17-22(11-10-18-23(17)36-30-24(18)26(27,28)29)35-15-6-14-34-21-9-5-8-20-16(21)12-13-31(20)19(4-2)25(32)33/h5,8-13,19H,3-4,6-7,14-15H2,1-2H3,(H,32,33)
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| InChIKey |
DBNPMVWLTQZOKJ-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