General Information of the Compound
| Compound ID |
CP0412324
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| Compound Name |
4-(4-benzylpiperazin-1-yl)-5-bromo-1H-pyridazin-6-one
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| Structure |
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| Formula |
C15H17BrN4O
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| Molecular Weight |
349.232
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| Canonical SMILES |
Brc1c(cn[nH]c1=O)N1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C15H17BrN4O/c16-14-13(10-17-18-15(14)21)20-8-6-19(7-9-20)11-12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H,18,21)
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| InChIKey |
JYMQNTALXSHRLU-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