General Information of the Compound
| Compound ID |
CP0474572
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| Compound Name |
5-(4-methoxyphenoxy)-6-oxo-1-(4-propan-2-ylphenyl)-4-pyridazinecarboxylic acid methyl ester
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| Structure |
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| Formula |
C22H22N2O5
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| Molecular Weight |
394.427
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| Canonical SMILES |
COC(=O)c1cnn(-c2ccc(cc2)C(C)C)c(=O)c1Oc1ccc(OC)cc1
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| InChI |
InChI=1S/C22H22N2O5/c1-14(2)15-5-7-16(8-6-15)24-21(25)20(19(13-23-24)22(26)28-4)29-18-11-9-17(27-3)10-12-18/h5-14H,1-4H3
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| InChIKey |
OJNYYBUWIWRUKR-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