General Information of the Compound
Compound ID |
CP0500997
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Compound Name |
(3-Chloro-4-fluoro-phenyl)-[7-methoxy-6-(2-pyrrolidin-1-yl-ethoxy)-quinazolin-4-yl]-amine
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Structure |
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Formula |
C21H22ClFN4O2
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Molecular Weight |
416.884
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Canonical SMILES |
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CCCC1
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InChI |
InChI=1S/C21H22ClFN4O2/c1-28-19-12-18-15(11-20(19)29-9-8-27-6-2-3-7-27)21(25-13-24-18)26-14-4-5-17(23)16(22)10-14/h4-5,10-13H,2-3,6-9H2,1H3,(H,24,25,26)
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InChIKey |
BLFAAYGECSULMU-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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