General Information of the Compound
| Compound ID |
CP0468626
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| Compound Name |
1-[2-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
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| Structure |
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| Formula |
C24H20FN5O3
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| Molecular Weight |
445.454
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| Canonical SMILES |
COc1cn(nc(-c2ccnn2-c2ccccc2)c1=O)-c1ccc(cc1F)N1CCCC1=O
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| InChI |
InChI=1S/C24H20FN5O3/c1-33-21-15-29(19-10-9-17(14-18(19)25)28-13-5-8-22(28)31)27-23(24(21)32)20-11-12-26-30(20)16-6-3-2-4-7-16/h2-4,6-7,9-12,14-15H,5,8,13H2,1H3
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| InChIKey |
OFVFNTBDENFPGH-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