General Information of the Compound
| Compound ID |
CP0535749
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| Compound Name |
2-Bromo-N*1*-ethyl-6-methoxy-N*4*,N*4*-dimethyl-N*1*-[4-methyl-6-(2-trifluoromethyl-phenyl)-pyrimidin-2-yl]-benzene-1,4-diamine
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| Structure |
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| Formula |
C23H24BrF3N4O
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| Molecular Weight |
509.37
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| Canonical SMILES |
CCN(c1nc(C)cc(n1)-c1ccccc1C(F)(F)F)c1c(Br)cc(cc1OC)N(C)C
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| InChI |
InChI=1S/C23H24BrF3N4O/c1-6-31(21-18(24)12-15(30(3)4)13-20(21)32-5)22-28-14(2)11-19(29-22)16-9-7-8-10-17(16)23(25,26)27/h7-13H,6H2,1-5H3
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| InChIKey |
ASPGWFIMJWAWGW-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