General Information of the Compound
| Compound ID |
CP0422994
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| Compound Name |
2-[5-[(2-methoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
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| Structure |
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| Formula |
C22H20F3N3O4
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| Molecular Weight |
447.413
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| Canonical SMILES |
COc1ccccc1Cc1cc(C)nn(CC(=O)Nc2ccc(OC(F)(F)F)cc2)c1=O
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| InChI |
InChI=1S/C22H20F3N3O4/c1-14-11-16(12-15-5-3-4-6-19(15)31-2)21(30)28(27-14)13-20(29)26-17-7-9-18(10-8-17)32-22(23,24)25/h3-11H,12-13H2,1-2H3,(H,26,29)
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| InChIKey |
DXROAFDKCSRXKC-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