General Information of the Compound
| Compound ID |
CP0894708
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| Compound Name |
1-(3-(4-(3-chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yloxy)azetidin-1-yl)prop-2-en-1-one
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| Structure |
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| Formula |
C21H18ClFN4O3
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| Molecular Weight |
428.851
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| Canonical SMILES |
C=CC(=O)N1CC(Oc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)C1
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| InChI |
InChI=1S/C21H18ClFN4O3/c1-3-20(28)27-9-13(10-27)30-19-7-14-17(8-18(19)29-2)24-11-25-21(14)26-12-4-5-16(23)15(22)6-12/h3-8,11,13H,1,9-10H2,2H3,(H,24,25,26)
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| InChIKey |
FQZKBSZZYWJJDO-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