General Information of the Compound
| Compound ID |
CP0425633
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| Compound Name |
5-chloro-4-[4-(hydroxymethyl)phenoxy]-2-(naphthalen-1-ylmethyl)pyridazin-3-one
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| Structure |
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| Formula |
C22H17ClN2O3
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| Molecular Weight |
392.842
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| Canonical SMILES |
OCc1ccc(Oc2c(Cl)cnn(Cc3cccc4ccccc34)c2=O)cc1
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| InChI |
InChI=1S/C22H17ClN2O3/c23-20-12-24-25(13-17-6-3-5-16-4-1-2-7-19(16)17)22(27)21(20)28-18-10-8-15(14-26)9-11-18/h1-12,26H,13-14H2
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| InChIKey |
AVMGWMFSIPBMIB-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