General Information of the Compound
| Compound ID |
CP0447988
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| Compound Name |
5-chloro-2-(naphthalen-1-ylmethyl)-4-[4-(trifluoromethoxy)phenoxy]pyridazin-3-one
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| Structure |
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| Formula |
C22H14ClF3N2O3
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| Molecular Weight |
446.812
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| Canonical SMILES |
FC(F)(F)Oc1ccc(Oc2c(Cl)cnn(Cc3cccc4ccccc34)c2=O)cc1
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| InChI |
InChI=1S/C22H14ClF3N2O3/c23-19-12-27-28(13-15-6-3-5-14-4-1-2-7-18(14)15)21(29)20(19)30-16-8-10-17(11-9-16)31-22(24,25)26/h1-12H,13H2
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| InChIKey |
YRPTUMFENPDOLK-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