General Information of the Compound
| Compound ID |
CP0302211
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| Compound Name |
1-(4-methoxyphenyl)-3-(4-nitroanilino)-3-[4-(trifluoromethyl)phenyl]propan-1-one
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| Structure |
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| Formula |
C23H19F3N2O4
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| Molecular Weight |
444.409
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| Canonical SMILES |
COc1ccc(cc1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C23H19F3N2O4/c1-32-20-12-4-16(5-13-20)22(29)14-21(15-2-6-17(7-3-15)23(24,25)26)27-18-8-10-19(11-9-18)28(30)31/h2-13,21,27H,14H2,1H3
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| InChIKey |
JOCQGPAPUMPYTP-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