General Information of the Compound
| Compound ID |
CP0430266
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| Compound Name |
4-[4-chloro-5-(4-methoxyphenoxy)-6-oxo-1-pyridazinyl]benzoic acid ethyl ester
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| Structure |
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| Formula |
C20H17ClN2O5
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| Molecular Weight |
400.818
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| Canonical SMILES |
CCOC(=O)c1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(OC)cc2)c1=O
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| InChI |
InChI=1S/C20H17ClN2O5/c1-3-27-20(25)13-4-6-14(7-5-13)23-19(24)18(17(21)12-22-23)28-16-10-8-15(26-2)9-11-16/h4-12H,3H2,1-2H3
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| InChIKey |
JGRLFIKSGGTASH-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