General Information of the Compound
| Compound ID |
CP0337506
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| Compound Name |
2-(5-bromanyl-2-methyl-4-nitro-imidazol-1-yl)-1-naphthalen-2-yl-ethanone
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| Structure |
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| Formula |
C16H12BrN3O3
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| Molecular Weight |
374.194
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| Canonical SMILES |
Cc1nc(c(Br)n1CC(=O)c1ccc2ccccc2c1)[N+]([O-])=O
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| InChI |
InChI=1S/C16H12BrN3O3/c1-10-18-16(20(22)23)15(17)19(10)9-14(21)13-7-6-11-4-2-3-5-12(11)8-13/h2-8H,9H2,1H3
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| InChIKey |
FKJFPVNMXOYFQM-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT01214, Tyrosine-protein kinase JAK2