General Information of the Compound
| Compound ID |
CP0229749
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| Compound Name |
N-[4-[3-bromo-4-[2-(dimethylamino)ethoxy]anilino]quinazolin-6-yl]prop-2-enamide
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| Structure |
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| Formula |
C21H22BrN5O2
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| Molecular Weight |
456.344
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| Canonical SMILES |
CN(C)CCOc1ccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)cc1Br
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| InChI |
InChI=1S/C21H22BrN5O2/c1-4-20(28)25-14-5-7-18-16(11-14)21(24-13-23-18)26-15-6-8-19(17(22)12-15)29-10-9-27(2)3/h4-8,11-13H,1,9-10H2,2-3H3,(H,25,28)(H,23,24,26)
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| InChIKey |
JPJSAJWYSOMBPM-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