General Information of the Compound
| Compound ID |
CP0226271
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| Compound Name |
1-(3-chlorophenyl)-3-(3-fluorophenyl)-3-(4-nitroanilino)propan-1-one
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| Structure |
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| Formula |
C21H16ClFN2O3
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| Molecular Weight |
398.821
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| Canonical SMILES |
[O-][N+](=O)c1ccc(NC(CC(=O)c2cccc(Cl)c2)c2cccc(F)c2)cc1
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| InChI |
InChI=1S/C21H16ClFN2O3/c22-16-5-1-4-15(11-16)21(26)13-20(14-3-2-6-17(23)12-14)24-18-7-9-19(10-8-18)25(27)28/h1-12,20,24H,13H2
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| InChIKey |
JBHNSKHKWQLGNV-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