General Information of the Compound
| Compound ID |
CP0509181
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| Compound Name |
3-bromo-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
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| Structure |
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| Formula |
C18H20BrN3O
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| Molecular Weight |
374.282
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(NC(=O)c2cccc(Br)c2)cc1
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| InChI |
InChI=1S/C18H20BrN3O/c1-21-9-11-22(12-10-21)17-7-5-16(6-8-17)20-18(23)14-3-2-4-15(19)13-14/h2-8,13H,9-12H2,1H3,(H,20,23)
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| InChIKey |
BBSRQPVANJAJLR-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