General Information of the Compound
| Compound ID |
CP0458805
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| Compound Name |
1-(3-bromophenyl)-3-(5-chloro-2-cyanophenyl)urea
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| Structure |
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| Formula |
C15H9ClF3N3O
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| Molecular Weight |
339.704
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| Canonical SMILES |
FC(F)(F)c1cccc(NC(=O)Nc2cc(Cl)ccc2C#N)c1
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| InChI |
InChI=1S/C15H9ClF3N3O/c16-11-5-4-9(8-20)13(7-11)22-14(23)21-12-3-1-2-10(6-12)15(17,18)19/h1-7H,(H2,21,22,23)
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| InChIKey |
ICMMYKOSJRFSOR-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