General Information of the Compound
| Compound ID |
CP0578345
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| Compound Name |
N-(4-fluorophenyl)-2-[1-[4-nitro-3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
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| Structure |
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| Formula |
C18H12F4N4O3
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| Molecular Weight |
408.311
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| Canonical SMILES |
[O-][N+](=O)c1ccc(cc1C(F)(F)F)-n1ccc(CC(=O)Nc2ccc(F)cc2)n1
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| InChI |
InChI=1S/C18H12F4N4O3/c19-11-1-3-12(4-2-11)23-17(27)9-13-7-8-25(24-13)14-5-6-16(26(28)29)15(10-14)18(20,21)22/h1-8,10H,9H2,(H,23,27)
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| InChIKey |
OZYRVQIUOVJZBA-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