General Information of the Compound
| Compound ID |
CP0564613
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| Compound Name |
[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl] prop-2-enoate
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| Structure |
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| Formula |
C18H12Cl2FN3O3
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| Molecular Weight |
408.216
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| Canonical SMILES |
COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1OC(=O)C=C
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| InChI |
InChI=1S/C18H12Cl2FN3O3/c1-3-15(25)27-14-6-9-12(7-13(14)26-2)22-8-23-18(9)24-11-5-4-10(19)16(20)17(11)21/h3-8H,1H2,2H3,(H,22,23,24)
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| InChIKey |
MWGLCAOXFXZTIW-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