General Information of the Compound
| Compound ID |
CP0450487
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| Compound Name |
5-chloro-4-(4-methoxyphenoxy)-2-(2-oxo-1,2-diphenylethyl)pyridazin-3-one
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| Structure |
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| Formula |
C25H19ClN2O4
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| Molecular Weight |
446.89
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| Canonical SMILES |
COc1ccc(Oc2c(Cl)cnn(C(C(=O)c3ccccc3)c3ccccc3)c2=O)cc1
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| InChI |
InChI=1S/C25H19ClN2O4/c1-31-19-12-14-20(15-13-19)32-24-21(26)16-27-28(25(24)30)22(17-8-4-2-5-9-17)23(29)18-10-6-3-7-11-18/h2-16,22H,1H3
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| InChIKey |
TVRAQAGGKZTXDO-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