General Information of the Compound
| Compound ID |
CP0473683
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| Compound Name |
N-(4-chlorophenyl)-2-[5-[(2-methoxyphenyl)methyl]-6-oxo-3-(trifluoromethyl)pyridazin-1-yl]hexanamide
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| Structure |
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| Formula |
C25H25ClF3N3O3
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| Molecular Weight |
507.94
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| Canonical SMILES |
CCCCC(C(=O)Nc1ccc(Cl)cc1)n1nc(cc(Cc2ccccc2OC)c1=O)C(F)(F)F
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| InChI |
InChI=1S/C25H25ClF3N3O3/c1-3-4-8-20(23(33)30-19-12-10-18(26)11-13-19)32-24(34)17(15-22(31-32)25(27,28)29)14-16-7-5-6-9-21(16)35-2/h5-7,9-13,15,20H,3-4,8,14H2,1-2H3,(H,30,33)
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| InChIKey |
YPUPIKYQGHCSIY-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