General Information of the Compound
| Compound ID |
CP0244131
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| Compound Name |
4-[1-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]propyl]benzoic acid
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| Structure |
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| Formula |
C22H18F2N2O4
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| Molecular Weight |
412.392
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| Canonical SMILES |
CCC(NC(=O)c1cc(F)cnc1Oc1ccc(F)cc1)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C22H18F2N2O4/c1-2-19(13-3-5-14(6-4-13)22(28)29)26-20(27)18-11-16(24)12-25-21(18)30-17-9-7-15(23)8-10-17/h3-12,19H,2H2,1H3,(H,26,27)(H,28,29)
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| InChIKey |
IADBLMLHTCHVGC-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