General Information of the Compound
| Compound ID |
CP0871241
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| Compound Name |
1-(3-(4-(3-chloro-2,4-difluorophenylamino)-7-methoxyquinazolin-6-yloxy)azetidin-1-yl)-2-((morpholinomethyl)prop-2-en-1-one
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| Structure |
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| Formula |
C26H26ClF2N5O4
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| Molecular Weight |
545.974
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| Canonical SMILES |
C=C(CN1CCOCC1)C(=O)N1CC(Oc2cc3c(Nc4ccc(F)c(Cl)c4F)ncnc3cc2OC)C1
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| InChI |
InChI=1S/C26H26ClF2N5O4/c1-15(11-33-5-7-37-8-6-33)26(35)34-12-16(13-34)38-22-9-17-20(10-21(22)36-2)30-14-31-25(17)32-19-4-3-18(28)23(27)24(19)29/h3-4,9-10,14,16H,1,5-8,11-13H2,2H3,(H,30,31,32)
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| InChIKey |
BRXFVLUCRCNQBA-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