General Information of the Compound
| Compound ID |
CP0894349
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| Compound Name |
3-(4-((3-(3,5-dimethylisoxazol-4-yl)-5-isopropoxybenzyl)oxy)-2-fluorophenyl)propanoic acid
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| Structure |
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| Formula |
C24H26FNO5
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| Molecular Weight |
427.472
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| Canonical SMILES |
Cc1noc(C)c1-c1cc(COc2ccc(CCC(=O)O)c(F)c2)cc(OC(C)C)c1
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| InChI |
InChI=1S/C24H26FNO5/c1-14(2)30-21-10-17(9-19(11-21)24-15(3)26-31-16(24)4)13-29-20-7-5-18(22(25)12-20)6-8-23(27)28/h5,7,9-12,14H,6,8,13H2,1-4H3,(H,27,28)
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| InChIKey |
WYHNULMHSQLGII-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