General Information of the Compound
| Compound ID |
CP0447986
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| Compound Name |
5-chloro-4-(4-methoxyphenoxy)-2-[naphthalen-1-yl(phenyl)methyl]pyridazin-3-one
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| Structure |
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| Formula |
C28H21ClN2O3
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| Molecular Weight |
468.94
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| Canonical SMILES |
COc1ccc(Oc2c(Cl)cnn(C(c3ccccc3)c3cccc4ccccc34)c2=O)cc1
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| InChI |
InChI=1S/C28H21ClN2O3/c1-33-21-14-16-22(17-15-21)34-27-25(29)18-30-31(28(27)32)26(20-9-3-2-4-10-20)24-13-7-11-19-8-5-6-12-23(19)24/h2-18,26H,1H3
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| InChIKey |
NPQGIAVOSXIMMT-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