General Information of the Compound
| Compound ID |
CP0517981
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| Compound Name |
5-chloro-2-[(2,6-dimethylphenyl)methyl]-4-(4-methoxyphenoxy)pyridazin-3-one
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| Structure |
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| Formula |
C20H19ClN2O3
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| Molecular Weight |
370.836
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| Canonical SMILES |
COc1ccc(Oc2c(Cl)cnn(Cc3c(C)cccc3C)c2=O)cc1
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| InChI |
InChI=1S/C20H19ClN2O3/c1-13-5-4-6-14(2)17(13)12-23-20(24)19(18(21)11-22-23)26-16-9-7-15(25-3)8-10-16/h4-11H,12H2,1-3H3
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| InChIKey |
GVMXJDSUQXUQCP-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