General Information of the Compound
| Compound ID |
CP0528641
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| Compound Name |
1-(6-bromoquinolin-3-yl)-3-(3-chloro-4-methoxyphenyl)urea
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| Formula |
C17H13BrClN3O2
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| Molecular Weight |
406.667
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| Canonical SMILES |
COc1ccc(NC(=O)Nc2cnc3ccc(Br)cc3c2)cc1Cl
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| InChI |
InChI=1S/C17H13BrClN3O2/c1-24-16-5-3-12(8-14(16)19)21-17(23)22-13-7-10-6-11(18)2-4-15(10)20-9-13/h2-9H,1H3,(H2,21,22,23)
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| InChIKey |
ZEPLLIXFRYENAI-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