General Information of the Compound
| Compound ID |
CP0506192
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| Compound Name |
4'-Butoxy-2,6-difluoro-3'-{[2-fluoro-4-(trifluoromethyl)phenylamido]methyl}biphenyl-3-carboxylic acid
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| Structure |
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| Formula |
C26H21F6NO4
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| Molecular Weight |
525.445
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| Canonical SMILES |
CCCCOc1ccc(cc1CNC(=O)c1ccc(cc1F)C(F)(F)F)-c1c(F)ccc(C(O)=O)c1F
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| InChI |
InChI=1S/C26H21F6NO4/c1-2-3-10-37-21-9-4-14(22-19(27)8-7-18(23(22)29)25(35)36)11-15(21)13-33-24(34)17-6-5-16(12-20(17)28)26(30,31)32/h4-9,11-12H,2-3,10,13H2,1H3,(H,33,34)(H,35,36)
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| InChIKey |
FJLHBOXYGKPKMI-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