General Information of the Compound
| Compound ID |
CP0308057
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| Compound Name |
3-cyclohexyl-1-(3-fluorophenyl)-3-(4-nitroanilino)propan-1-one
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| Structure |
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| Formula |
C21H23FN2O3
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| Molecular Weight |
370.424
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| Canonical SMILES |
[O-][N+](=O)c1ccc(NC(CC(=O)c2cccc(F)c2)C2CCCCC2)cc1
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| InChI |
InChI=1S/C21H23FN2O3/c22-17-8-4-7-16(13-17)21(25)14-20(15-5-2-1-3-6-15)23-18-9-11-19(12-10-18)24(26)27/h4,7-13,15,20,23H,1-3,5-6,14H2
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| InChIKey |
IUZRAMZCEBNUIK-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