General Information of the Compound
| Compound ID |
CP0391424
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| Compound Name |
1-(3-Bromo-4-{ethyl-[4-methyl-6-(2-trifluoromethyl-phenyl)-pyrimidin-2-yl]-amino}-phenyl)-ethanone
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| Structure |
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| Formula |
C22H19BrF3N3O
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| Molecular Weight |
478.312
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| Canonical SMILES |
CCN(c1nc(C)cc(n1)-c1ccccc1C(F)(F)F)c1ccc(cc1Br)C(C)=O
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| InChI |
InChI=1S/C22H19BrF3N3O/c1-4-29(20-10-9-15(14(3)30)12-18(20)23)21-27-13(2)11-19(28-21)16-7-5-6-8-17(16)22(24,25)26/h5-12H,4H2,1-3H3
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| InChIKey |
UNYKCLXPBPYASU-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