General Information of the Compound
| Compound ID |
CP0521783
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| Compound Name |
3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(2-fluoro-4-pyrazol-1-ylphenyl)-5-methoxypyridazin-4-one
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| Structure |
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| Formula |
C23H16ClFN6O2
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| Molecular Weight |
462.872
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| Canonical SMILES |
COc1cn(nc(-c2ccnn2-c2cccc(Cl)c2)c1=O)-c1ccc(cc1F)-n1cccn1
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| InChI |
InChI=1S/C23H16ClFN6O2/c1-33-21-14-30(19-7-6-16(13-18(19)25)29-11-3-9-26-29)28-22(23(21)32)20-8-10-27-31(20)17-5-2-4-15(24)12-17/h2-14H,1H3
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| InChIKey |
VXQLWZYFOZUKMA-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