General Information of the Compound
| Compound ID |
CP0382767
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| Compound Name |
methyl 2-[[4-chloro-5-(4-methoxyphenoxy)-6-oxopyridazin-1-yl]methyl]benzoate
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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 |
COC(=O)c1ccccc1Cn1ncc(Cl)c(Oc2ccc(OC)cc2)c1=O
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| InChI |
InChI=1S/C20H17ClN2O5/c1-26-14-7-9-15(10-8-14)28-18-17(21)11-22-23(19(18)24)12-13-5-3-4-6-16(13)20(25)27-2/h3-11H,12H2,1-2H3
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| InChIKey |
ZWELOBCZTGMHRQ-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