General Information of the Compound
| Compound ID |
CP0199460
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| Compound Name |
2-{4-[3-methyl-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 |
C27H29F3N2O5
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| Molecular Weight |
518.532
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| Canonical SMILES |
CCCc1c(OCCC(C)CCOc2cccc3n(CC(O)=O)ccc23)ccc2c(noc12)C(F)(F)F
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| InChI |
InChI=1S/C27H29F3N2O5/c1-3-5-19-23(9-8-20-25(19)37-31-26(20)27(28,29)30)36-15-12-17(2)11-14-35-22-7-4-6-21-18(22)10-13-32(21)16-24(33)34/h4,6-10,13,17H,3,5,11-12,14-16H2,1-2H3,(H,33,34)
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| InChIKey |
OZQNBEMTLPTJIG-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