General Information of the Compound
| Compound ID |
CP0261676
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| Compound Name |
5-chloranyl-4-(4-methoxyphenoxy)-2-(4-methylphenyl)pyridazin-3-one
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| Structure |
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| Formula |
C18H15ClN2O3
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| Molecular Weight |
342.782
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| Canonical SMILES |
COc1ccc(Oc2c(Cl)cnn(-c3ccc(C)cc3)c2=O)cc1
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| InChI |
InChI=1S/C18H15ClN2O3/c1-12-3-5-13(6-4-12)21-18(22)17(16(19)11-20-21)24-15-9-7-14(23-2)8-10-15/h3-11H,1-2H3
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| InChIKey |
MNCQCCQZOQVQKT-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06160, Neuropeptides B/W receptor type 1