General Information of the Compound
| Compound ID |
CP0554551
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| Compound Name |
2-(1,3-benzodioxol-5-yl)-N-[[2-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]methyl]acetamide
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| Structure |
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| Formula |
C20H15ClF3N3O3
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| Molecular Weight |
437.805
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| Canonical SMILES |
FC(F)(F)c1cc(CNC(=O)Cc2ccc3OCOc3c2)n(n1)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C20H15ClF3N3O3/c21-13-2-4-14(5-3-13)27-15(9-18(26-27)20(22,23)24)10-25-19(28)8-12-1-6-16-17(7-12)30-11-29-16/h1-7,9H,8,10-11H2,(H,25,28)
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| InChIKey |
XOGFOVPUAKWZLJ-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