General Information of the Compound
| Compound ID |
CP0881849
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| Compound Name |
1-(3-(4-(3-chloro-2,4-difluorophenylamino)-7-methoxyquinazolin-6-yloxy)azetidin-1-yl)-2-((dimethylamino)methyl)prop-2-en-1-one
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| Structure |
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| Formula |
C24H24ClF2N5O3
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| Molecular Weight |
503.937
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| Canonical SMILES |
C=C(CN(C)C)C(=O)N1CC(Oc2cc3c(Nc4ccc(F)c(Cl)c4F)ncnc3cc2OC)C1
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| InChI |
InChI=1S/C24H24ClF2N5O3/c1-13(9-31(2)3)24(33)32-10-14(11-32)35-20-7-15-18(8-19(20)34-4)28-12-29-23(15)30-17-6-5-16(26)21(25)22(17)27/h5-8,12,14H,1,9-11H2,2-4H3,(H,28,29,30)
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| InChIKey |
UJPWCRNRQVYYIP-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