General Information of the Compound
| Compound ID |
CP0319342
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| Compound Name |
2-ethyl-2-{5-[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(OCCCOc2ccc3n(ccc3c2)C(CC)C(O)=O)ccc2c(noc12)C(F)(F)F
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| InChI |
InChI=1S/C26H27F3N2O5/c1-3-6-18-22(10-8-19-23(18)36-30-24(19)26(27,28)29)35-14-5-13-34-17-7-9-21-16(15-17)11-12-31(21)20(4-2)25(32)33/h7-12,15,20H,3-6,13-14H2,1-2H3,(H,32,33)
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| InChIKey |
CDJPPWZBMMKNCB-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