General Information of the Compound
| Compound ID |
CP0465668
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| Compound Name |
5-chloro-4-(4-methoxyphenoxy)-2-[(2-pyrazol-1-ylphenyl)methyl]pyridazin-3-one
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| Structure |
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| Formula |
C21H17ClN4O3
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| Molecular Weight |
408.845
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| Canonical SMILES |
COc1ccc(Oc2c(Cl)cnn(Cc3ccccc3-n3cccn3)c2=O)cc1
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| InChI |
InChI=1S/C21H17ClN4O3/c1-28-16-7-9-17(10-8-16)29-20-18(22)13-24-26(21(20)27)14-15-5-2-3-6-19(15)25-12-4-11-23-25/h2-13H,14H2,1H3
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| InChIKey |
AJCYLVWAVMALMD-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