General Information of the Compound
| Compound ID |
CP0403149
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| Compound Name |
[4-(3-chloro-4-fluoroanilino)-7-ethoxyquinazolin-6-yl] 2-chloroacetate
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| Structure |
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| Formula |
C18H14Cl2FN3O3
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| Molecular Weight |
410.232
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| Canonical SMILES |
CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC(=O)CCl
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| InChI |
InChI=1S/C18H14Cl2FN3O3/c1-2-26-15-7-14-11(6-16(15)27-17(25)8-19)18(23-9-22-14)24-10-3-4-13(21)12(20)5-10/h3-7,9H,2,8H2,1H3,(H,22,23,24)
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| InChIKey |
JNUAITAEEJPXAZ-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