General Information of the Compound
| Compound ID |
CP0277559
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| Compound Name |
N-(4-bromo-3-methylphenyl)-2-[4-(2-cyanophenyl)piperazin-1-yl]acetamide
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| Structure |
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| Formula |
C20H21BrN4O
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| Molecular Weight |
413.319
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| Canonical SMILES |
Cc1cc(NC(=O)CN2CCN(CC2)c2ccccc2C#N)ccc1Br
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| InChI |
InChI=1S/C20H21BrN4O/c1-15-12-17(6-7-18(15)21)23-20(26)14-24-8-10-25(11-9-24)19-5-3-2-4-16(19)13-22/h2-7,12H,8-11,14H2,1H3,(H,23,26)
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| InChIKey |
YNCKRHJTVVVVJZ-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