General Information of the Compound
| Compound ID |
CP0434767
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| Compound Name |
5-bromo-4-[(2R)-2-methyl-4-[(2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-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 |
C[C@@H]1CN(Cc2ccccc2C)CCN1c1cn[nH]c(=O)c1Br
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| InChI |
InChI=1S/C17H21BrN4O/c1-12-5-3-4-6-14(12)11-21-7-8-22(13(2)10-21)15-9-19-20-17(23)16(15)18/h3-6,9,13H,7-8,10-11H2,1-2H3,(H,20,23)/t13-/m1/s1
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| InChIKey |
HJKQOMMTUDYNHY-CYBMUJFWSA-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