General Information of the Compound
| Compound ID |
CP0561503
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| Compound Name |
5-bromo-4-[4-(1-phenylethyl)piperazin-1-yl]-1H-pyridazin-6-one
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| Structure |
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| Formula |
C16H19BrN4O
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| Molecular Weight |
363.259
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| Canonical SMILES |
CC(N1CCN(CC1)c1cn[nH]c(=O)c1Br)c1ccccc1
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| InChI |
InChI=1S/C16H19BrN4O/c1-12(13-5-3-2-4-6-13)20-7-9-21(10-8-20)14-11-18-19-16(22)15(14)17/h2-6,11-12H,7-10H2,1H3,(H,19,22)
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| InChIKey |
RINUCCVFNORVNO-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