General Information of the Compound
| Compound ID |
CP0876116
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| Compound Name |
3-(4-((3-(3,5-dimethylisoxazol-4-yl)benzyl)oxy)-2-fluorophenyl)propanoic-2,2-d2 acid
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| Structure |
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| Formula |
C21H20FNO4
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| Molecular Weight |
371.4042036
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| Canonical SMILES |
[2H]C([2H])(Cc1ccc(OCc2cccc(-c3c(C)noc3C)c2)cc1F)C(=O)O
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| InChI |
InChI=1S/C21H20FNO4/c1-13-21(14(2)27-23-13)17-5-3-4-15(10-17)12-26-18-8-6-16(19(22)11-18)7-9-20(24)25/h3-6,8,10-11H,7,9,12H2,1-2H3,(H,24,25)/i9D2
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| InChIKey |
YZMQISQFDHASPC-KNXIQCGSSA-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