General Information of the Compound
| Compound ID |
CP0572041
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| Compound Name |
N-[[5-tert-butyl-2-(3-chlorophenyl)pyrazol-3-yl]methyl]-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
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| Formula |
C23H22ClF4N3O
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| Molecular Weight |
467.894
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| Canonical SMILES |
CC(C)(C)c1cc(CNC(=O)Cc2ccc(F)c(c2)C(F)(F)F)n(n1)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C23H22ClF4N3O/c1-22(2,3)20-12-17(31(30-20)16-6-4-5-15(24)11-16)13-29-21(32)10-14-7-8-19(25)18(9-14)23(26,27)28/h4-9,11-12H,10,13H2,1-3H3,(H,29,32)
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| InChIKey |
IFKUEWUROQKKJP-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