General Information of the Compound
| Compound ID |
CP0396467
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| Compound Name |
5-chloranyl-2-(4-methylphenyl)-4-phenoxy-pyridazin-3-one
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| Structure |
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| Formula |
C17H13ClN2O2
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| Molecular Weight |
312.756
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| Canonical SMILES |
Cc1ccc(cc1)-n1ncc(Cl)c(Oc2ccccc2)c1=O
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| InChI |
InChI=1S/C17H13ClN2O2/c1-12-7-9-13(10-8-12)20-17(21)16(15(18)11-19-20)22-14-5-3-2-4-6-14/h2-11H,1H3
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| InChIKey |
MNUUQMMVABGDGH-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