General Information of the Compound
| Compound ID |
CP0447992
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| Compound Name |
2-[(4-bromonaphthalen-1-yl)methyl]-5-chloro-4-(4-methoxyphenoxy)pyridazin-3-one
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| Structure |
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| Formula |
C22H16BrClN2O3
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| Molecular Weight |
471.738
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| Canonical SMILES |
COc1ccc(Oc2c(Cl)cnn(Cc3ccc(Br)c4ccccc34)c2=O)cc1
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| InChI |
InChI=1S/C22H16BrClN2O3/c1-28-15-7-9-16(10-8-15)29-21-20(24)12-25-26(22(21)27)13-14-6-11-19(23)18-5-3-2-4-17(14)18/h2-12H,13H2,1H3
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| InChIKey |
OTIBOXXULIHICE-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