General Information of the Compound
| Compound ID |
CP0404127
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| Compound Name |
2-[{2-[4-(3-Chloro-4-fluoro-phenylamino)-7-methoxy-quinazolin-6-yloxy]-ethyl}-(2-hydroxy-ethyl)-amino]-ethanol
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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)c2cc1OCCN(CCO)CCO
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| InChI |
InChI=1S/C21H24ClFN4O4/c1-30-19-12-18-15(11-20(19)31-9-6-27(4-7-28)5-8-29)21(25-13-24-18)26-14-2-3-17(23)16(22)10-14/h2-3,10-13,28-29H,4-9H2,1H3,(H,24,25,26)
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| InChIKey |
OBECJVAODZZPOU-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