General Information of the Compound
| Compound ID |
CP0403259
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| Compound Name |
N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-4-hydroxybut-2-ynamide
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| Structure |
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| Formula |
C18H12ClFN4O2
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| Molecular Weight |
370.771
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| Canonical SMILES |
OCC#CC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1
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| InChI |
InChI=1S/C18H12ClFN4O2/c19-14-9-12(3-5-15(14)20)24-18-13-8-11(23-17(26)2-1-7-25)4-6-16(13)21-10-22-18/h3-6,8-10,25H,7H2,(H,23,26)(H,21,22,24)
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| InChIKey |
TVQHGTHLBVLBIA-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
Protein ID: PT00922, Epidermal growth factor receptor
Protein ID: PT01233, Receptor tyrosine-protein kinase erbB-2