General Information of the Compound
| Compound ID |
CP0930317
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| Compound Name |
N-(3-chloro-2-fluorophenyl)-7-{[(4-methylmorpholin-2-yl)methyl]oxy}-6-(methyloxy)quinazolin-4-amine
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| Structure |
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| Formula |
C21H22ClFN4O3
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| Molecular Weight |
432.883
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| Canonical SMILES |
COc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OCC1CN(C)CCO1
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| InChI |
InChI=1S/C21H22ClFN4O3/c1-27-6-7-29-13(10-27)11-30-19-9-17-14(8-18(19)28-2)21(25-12-24-17)26-16-5-3-4-15(22)20(16)23/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3,(H,24,25,26)
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| InChIKey |
GQHKXXVKPUENOH-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