General Information of the Compound
| Compound ID |
CP0542736
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| Compound Name |
1-[2-(3-bromophenyl)ethyl]-3-(4-chlorophenyl)urea
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| Structure |
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| Formula |
C15H14BrClN2O
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| Molecular Weight |
353.647
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| Canonical SMILES |
Clc1ccc(NC(=O)NCCc2cccc(Br)c2)cc1
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| InChI |
InChI=1S/C15H14BrClN2O/c16-12-3-1-2-11(10-12)8-9-18-15(20)19-14-6-4-13(17)5-7-14/h1-7,10H,8-9H2,(H2,18,19,20)
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| InChIKey |
TZLBYOCJWGWKFN-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