General Information of the Compound
| Compound ID |
CP0444799
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| Compound Name |
2-[[4-chloro-5-(4-methoxyphenoxy)-6-oxopyridazin-1-yl]methyl]benzonitrile
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| Structure |
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| Formula |
C19H14ClN3O3
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| Molecular Weight |
367.792
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| Canonical SMILES |
COc1ccc(Oc2c(Cl)cnn(Cc3ccccc3C#N)c2=O)cc1
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| InChI |
InChI=1S/C19H14ClN3O3/c1-25-15-6-8-16(9-7-15)26-18-17(20)11-22-23(19(18)24)12-14-5-3-2-4-13(14)10-21/h2-9,11H,12H2,1H3
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| InChIKey |
PNTIUTZVEJQUIU-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