General Information of the Compound
| Compound ID |
CP0237647
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| Compound Name |
N-(4-bromophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide
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| Structure |
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| Formula |
C15H19BrN4O
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| Molecular Weight |
351.248
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| Canonical SMILES |
CN(CC(=O)Nc1ccc(Br)cc1)Cc1cn(C)nc1C
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| InChI |
InChI=1S/C15H19BrN4O/c1-11-12(9-20(3)18-11)8-19(2)10-15(21)17-14-6-4-13(16)5-7-14/h4-7,9H,8,10H2,1-3H3,(H,17,21)
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| InChIKey |
MHTIXBGOKSILPR-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