General Information of the Compound
| Compound ID |
CP0504858
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| Compound Name |
4-(3-Bromophenylamino)-6,7-diethoxyquinoline-3-carbonitrile
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| Structure |
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| Formula |
C20H18BrN3O2
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| Molecular Weight |
412.287
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| Canonical SMILES |
CCOc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1OCC
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| InChI |
InChI=1S/C20H18BrN3O2/c1-3-25-18-9-16-17(10-19(18)26-4-2)23-12-13(11-22)20(16)24-15-7-5-6-14(21)8-15/h5-10,12H,3-4H2,1-2H3,(H,23,24)
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| InChIKey |
ZXILYRWRAKLTOG-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