General Information of the Compound
| Compound ID |
CP0639040
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| Compound Name |
5-(2-Chloro-4-fluoro-benzoylamino)-4'-methyl-biphenyl-3-carboxylic acid(2-methoxy-1-methyl-ethyl)-amide
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| Structure |
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| Formula |
C25H24ClFN2O3
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| Molecular Weight |
454.929
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| Canonical SMILES |
COCC(C)NC(=O)c1cc(NC(=O)c2ccc(F)cc2Cl)cc(-c2ccc(C)cc2)c1
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| InChI |
InChI=1S/C25H24ClFN2O3/c1-15-4-6-17(7-5-15)18-10-19(24(30)28-16(2)14-32-3)12-21(11-18)29-25(31)22-9-8-20(27)13-23(22)26/h4-13,16H,14H2,1-3H3,(H,28,30)(H,29,31)
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| InChIKey |
ROCYMEUUTRYGML-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