General Information of the Compound
| Compound ID |
CP0549699
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| Compound Name |
5-bromo-4-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1H-pyridazin-6-one
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| Structure |
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| Formula |
C13H17BrN6O
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| Molecular Weight |
353.224
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| Canonical SMILES |
Cn1ccnc1CN1CCN(CC1)c1cn[nH]c(=O)c1Br
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| InChI |
InChI=1S/C13H17BrN6O/c1-18-3-2-15-11(18)9-19-4-6-20(7-5-19)10-8-16-17-13(21)12(10)14/h2-3,8H,4-7,9H2,1H3,(H,17,21)
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| InChIKey |
SDJSEMKOEAKCCS-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