General Information of the Compound
| Compound ID |
CP0572861
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| Compound Name |
4-bromo-2-methyl-5-[4-[(2-methylphenyl)methyl]piperazin-1-yl]pyridazin-3-one
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| Structure |
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| Formula |
C17H21BrN4O
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| Molecular Weight |
377.286
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| Canonical SMILES |
Cc1ccccc1CN1CCN(CC1)c1cnn(C)c(=O)c1Br
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| InChI |
InChI=1S/C17H21BrN4O/c1-13-5-3-4-6-14(13)12-21-7-9-22(10-8-21)15-11-19-20(2)17(23)16(15)18/h3-6,11H,7-10,12H2,1-2H3
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| InChIKey |
JPLXJQLVLADMAX-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