General Information of the Compound
| Compound ID |
CP0558998
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| Compound Name |
N-[[2-(3-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]methyl]-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
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| Formula |
C20H13ClF7N3O
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| Molecular Weight |
479.783
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| Canonical SMILES |
Fc1ccc(CC(=O)NCc2cc(nn2-c2cccc(Cl)c2)C(F)(F)F)cc1C(F)(F)F
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| InChI |
InChI=1S/C20H13ClF7N3O/c21-12-2-1-3-13(8-12)31-14(9-17(30-31)20(26,27)28)10-29-18(32)7-11-4-5-16(22)15(6-11)19(23,24)25/h1-6,8-9H,7,10H2,(H,29,32)
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| InChIKey |
FETMKSVCEBRPAO-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