General Information of the Compound
| Compound ID |
CP0384205
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| Compound Name |
5-(4-butoxy-3-((2-fluoro-4-(trifluoromethyl)benzamido)methyl)phenyl)picolinic acid
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| Structure |
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| Formula |
C25H22F4N2O4
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| Molecular Weight |
490.453
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| Canonical SMILES |
CCCCOc1ccc(cc1CNC(=O)c1ccc(cc1F)C(F)(F)F)-c1ccc(nc1)C(O)=O
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| InChI |
InChI=1S/C25H22F4N2O4/c1-2-3-10-35-22-9-5-15(16-4-8-21(24(33)34)30-13-16)11-17(22)14-31-23(32)19-7-6-18(12-20(19)26)25(27,28)29/h4-9,11-13H,2-3,10,14H2,1H3,(H,31,32)(H,33,34)
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| InChIKey |
RBUXBLQNKOTWJE-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