General Information of the Compound
| Compound ID |
CP0422999
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| Compound Name |
N-(4-chlorophenyl)-2-[5-[(2-methoxyphenyl)methyl]-6-oxo-3-(trifluoromethyl)pyridazin-1-yl]acetamide
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| Structure |
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| Formula |
C21H17ClF3N3O3
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| Molecular Weight |
451.832
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| Canonical SMILES |
COc1ccccc1Cc1cc(nn(CC(=O)Nc2ccc(Cl)cc2)c1=O)C(F)(F)F
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| InChI |
InChI=1S/C21H17ClF3N3O3/c1-31-17-5-3-2-4-13(17)10-14-11-18(21(23,24)25)27-28(20(14)30)12-19(29)26-16-8-6-15(22)7-9-16/h2-9,11H,10,12H2,1H3,(H,26,29)
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| InChIKey |
QRWIRJVWNJABIU-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