General Information of the Compound
| Compound ID |
CP0483787
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| Compound Name |
1-(3-bromophenyl)-3-(5-chloro-2-nitrophenyl)urea
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| Structure |
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| Formula |
C13H9BrClN3O3
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| Molecular Weight |
370.59
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| Canonical SMILES |
[O-][N+](=O)c1ccc(Cl)cc1NC(=O)Nc1cccc(Br)c1
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| InChI |
InChI=1S/C13H9BrClN3O3/c14-8-2-1-3-10(6-8)16-13(19)17-11-7-9(15)4-5-12(11)18(20)21/h1-7H,(H2,16,17,19)
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| InChIKey |
SDDAUARQYMNCKA-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