General Information of the Compound
| Compound ID |
CP0561538
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| Compound Name |
5-bromo-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one
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| Structure |
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| Formula |
C16H18BrFN4O
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| Molecular Weight |
381.249
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| Canonical SMILES |
Cc1cc(F)ccc1CN1CCN(CC1)c1cn[nH]c(=O)c1Br
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| InChI |
InChI=1S/C16H18BrFN4O/c1-11-8-13(18)3-2-12(11)10-21-4-6-22(7-5-21)14-9-19-20-16(23)15(14)17/h2-3,8-9H,4-7,10H2,1H3,(H,20,23)
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| InChIKey |
FNTSFYCCYLXLJQ-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