General Information of the Compound
| Compound ID |
CP0417012
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| Compound Name |
1-(2,6-dibromo-4-propan-2-ylphenyl)-3-pyridin-3-ylurea
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| Structure |
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| Formula |
C15H15Br2N3O
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| Molecular Weight |
413.113
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| Canonical SMILES |
CC(C)c1cc(Br)c(NC(=O)Nc2cccnc2)c(Br)c1
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| InChI |
InChI=1S/C15H15Br2N3O/c1-9(2)10-6-12(16)14(13(17)7-10)20-15(21)19-11-4-3-5-18-8-11/h3-9H,1-2H3,(H2,19,20,21)
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| InChIKey |
JFNKIJKRXKPQCC-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