General Information of the Compound
| Compound ID |
CP0437439
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| Compound Name |
5-chloro-4-(4-methylsulfanylphenoxy)-2-(naphthalen-1-ylmethyl)pyridazin-3-one
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| Structure |
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| Formula |
C22H17ClN2O2S
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| Molecular Weight |
408.91
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| Canonical SMILES |
CSc1ccc(Oc2c(Cl)cnn(Cc3cccc4ccccc34)c2=O)cc1
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| InChI |
InChI=1S/C22H17ClN2O2S/c1-28-18-11-9-17(10-12-18)27-21-20(23)13-24-25(22(21)26)14-16-7-4-6-15-5-2-3-8-19(15)16/h2-13H,14H2,1H3
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| InChIKey |
KOLZFPTWIZMRKQ-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