General Information of the Compound
| Compound ID |
CP0404905
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| Compound Name |
4-(4-methoxyphenoxy)-5-methyl-2-(4-propan-2-ylphenyl)-3-pyridazinone
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| Structure |
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| Formula |
C21H22N2O3
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| Molecular Weight |
350.418
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| Canonical SMILES |
COc1ccc(Oc2c(C)cnn(-c3ccc(cc3)C(C)C)c2=O)cc1
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| InChI |
InChI=1S/C21H22N2O3/c1-14(2)16-5-7-17(8-6-16)23-21(24)20(15(3)13-22-23)26-19-11-9-18(25-4)10-12-19/h5-14H,1-4H3
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| InChIKey |
BGWRLXAKBUUMEC-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