General Information of the Compound
| Compound ID |
CP0501229
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| Compound Name |
4-(4-methoxyphenoxy)-2-(4-propan-2-ylphenyl)pyridazin-3-one
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| Structure |
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| Formula |
C20H20N2O3
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| Molecular Weight |
336.391
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| Canonical SMILES |
COc1ccc(Oc2ccnn(-c3ccc(cc3)C(C)C)c2=O)cc1
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| InChI |
InChI=1S/C20H20N2O3/c1-14(2)15-4-6-16(7-5-15)22-20(23)19(12-13-21-22)25-18-10-8-17(24-3)9-11-18/h4-14H,1-3H3
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| InChIKey |
JTXWFQZTQZHURL-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