General Information of the Compound
| Compound ID |
CP0459087
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| Compound Name |
N-(2,4-dichlorophenyl)-2-[5-[(2-methoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]acetamide
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| Structure |
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| Formula |
C21H19Cl2N3O3
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| Molecular Weight |
432.307
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| Canonical SMILES |
COc1ccccc1Cc1cc(C)nn(CC(=O)Nc2ccc(Cl)cc2Cl)c1=O
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| InChI |
InChI=1S/C21H19Cl2N3O3/c1-13-9-15(10-14-5-3-4-6-19(14)29-2)21(28)26(25-13)12-20(27)24-18-8-7-16(22)11-17(18)23/h3-9,11H,10,12H2,1-2H3,(H,24,27)
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| InChIKey |
SYWASVSSWNCVIP-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