General Information of the Compound
| Compound ID |
CP0511404
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| Compound Name |
4-(3-Bromophenylamino)-7-ethoxy-6-methoxyquinoline-3-carbonitrile
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| Structure |
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| Formula |
C19H16BrN3O2
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| Molecular Weight |
398.26
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| Canonical SMILES |
CCOc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1OC
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| InChI |
InChI=1S/C19H16BrN3O2/c1-3-25-18-9-16-15(8-17(18)24-2)19(12(10-21)11-22-16)23-14-6-4-5-13(20)7-14/h4-9,11H,3H2,1-2H3,(H,22,23)
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| InChIKey |
WCNVEOXERDZIOX-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