General Information of the Compound
| Compound ID |
CP0466981
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| Compound Name |
2-{2-[4-(3-Chloro-4-fluoro-phenylamino)-7-methoxy-quinazolin-6-yloxy]-ethylamino}-2-methyl-propane-1,3-diol
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| Structure |
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| Formula |
C21H24ClFN4O4
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| Molecular Weight |
450.898
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| Canonical SMILES |
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCNC(C)(CO)CO
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| InChI |
InChI=1S/C21H24ClFN4O4/c1-21(10-28,11-29)26-5-6-31-19-8-14-17(9-18(19)30-2)24-12-25-20(14)27-13-3-4-16(23)15(22)7-13/h3-4,7-9,12,26,28-29H,5-6,10-11H2,1-2H3,(H,24,25,27)
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| InChIKey |
YVOYJUFXYUNMMY-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