General Information of the Compound
| Compound ID |
CP0516232
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| Compound Name |
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine
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| Structure |
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| Formula |
C21H22ClFN4O2
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| Molecular Weight |
416.884
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| Canonical SMILES |
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C)CC1
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| InChI |
InChI=1S/C21H22ClFN4O2/c1-27-7-5-14(6-8-27)29-20-10-15-18(11-19(20)28-2)24-12-25-21(15)26-13-3-4-17(23)16(22)9-13/h3-4,9-12,14H,5-8H2,1-2H3,(H,24,25,26)
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| InChIKey |
AHPPMJNZFROCCT-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