General Information of the Compound
| Compound ID |
CP0440985
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| Compound Name |
(3-Chloro-4-fluoro-phenyl)-{7-methoxy-6-[2-(4-methyl-piperazin-1-yl)-ethoxy]-quinazolin-4-yl}-amine
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| Structure |
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| Formula |
C22H25ClFN5O2
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| Molecular Weight |
445.926
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| Canonical SMILES |
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CCN(C)CC1
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| InChI |
InChI=1S/C22H25ClFN5O2/c1-28-5-7-29(8-6-28)9-10-31-21-12-16-19(13-20(21)30-2)25-14-26-22(16)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,5-10H2,1-2H3,(H,25,26,27)
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| InChIKey |
UEWRHTSERXIBRC-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