General Information of the Compound
| Compound ID |
CP0545066
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| Compound Name |
(3-Chloro-4-fluoro-phenyl)-[7-methoxy-6-(2-methylamino-ethoxy)-quinazolin-4-yl]-amine
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| Structure |
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| Formula |
C18H18ClFN4O2
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| Molecular Weight |
376.819
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| Canonical SMILES |
CNCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC
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| InChI |
InChI=1S/C18H18ClFN4O2/c1-21-5-6-26-17-8-12-15(9-16(17)25-2)22-10-23-18(12)24-11-3-4-14(20)13(19)7-11/h3-4,7-10,21H,5-6H2,1-2H3,(H,22,23,24)
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| InChIKey |
MCLWOTRQSAKXBH-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