General Information of the Compound
| Compound ID |
CP0294140
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| Compound Name |
1-(4-bromophenyl)-3-(4-nitroanilino)-3-[4-(trifluoromethyl)phenyl]propan-1-one
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| Structure |
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| Formula |
C22H16BrF3N2O3
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| Molecular Weight |
493.279
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| Canonical SMILES |
[O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(Br)cc2)c2ccc(cc2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C22H16BrF3N2O3/c23-17-7-3-15(4-8-17)21(29)13-20(14-1-5-16(6-2-14)22(24,25)26)27-18-9-11-19(12-10-18)28(30)31/h1-12,20,27H,13H2
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| InChIKey |
JEMHPFWVOVZKFL-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