General Information of the Compound
| Compound ID |
CP0401403
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| Compound Name |
1-Butyl-1-(3,5-dibromo-2-hydroxybenzyl)-3-phenylurea
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| Structure |
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| Formula |
C18H20Br2N2O2
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| Molecular Weight |
456.178
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| Canonical SMILES |
CCCCN(Cc1cc(Br)cc(Br)c1O)C(=O)Nc1ccccc1
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| InChI |
InChI=1S/C18H20Br2N2O2/c1-2-3-9-22(18(24)21-15-7-5-4-6-8-15)12-13-10-14(19)11-16(20)17(13)23/h4-8,10-11,23H,2-3,9,12H2,1H3,(H,21,24)
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| InChIKey |
BKAKEQNATCRPPB-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