General Information of the Compound
| Compound ID |
CP0507691
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| Compound Name |
1-[4-(3-Chloro-4-fluoro-phenylamino)-7-methoxy-quinazolin-6-yloxy]-3-methylamino-propan-2-ol
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| Structure |
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| Formula |
C19H20ClFN4O3
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| Molecular Weight |
406.845
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| Canonical SMILES |
CNCC(O)COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC
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| InChI |
InChI=1S/C19H20ClFN4O3/c1-22-8-12(26)9-28-18-6-13-16(7-17(18)27-2)23-10-24-19(13)25-11-3-4-15(21)14(20)5-11/h3-7,10,12,22,26H,8-9H2,1-2H3,(H,23,24,25)
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| InChIKey |
WBXRECNDPTXGIZ-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