General Information of the Compound
| Compound ID |
CP0319341
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| Compound Name |
2-{4-[5-(7-propyl-3-trifluoromethylbenzo[d]isoxazol-6-yloxy)pentyloxy]-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(OCCCCCOc2cccc3n(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
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| InChI |
InChI=1S/C26H27F3N2O5/c1-2-7-18-22(11-10-19-24(18)36-30-25(19)26(27,28)29)35-15-5-3-4-14-34-21-9-6-8-20-17(21)12-13-31(20)16-23(32)33/h6,8-13H,2-5,7,14-16H2,1H3,(H,32,33)
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| InChIKey |
FAQAPRJCKRYZMI-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