General Information of the Compound
| Compound ID |
CP0449579
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| Compound Name |
N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-5-morpholin-4-ylpent-2-ynamide
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| Structure |
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| Formula |
C23H21ClFN5O2
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| Molecular Weight |
453.905
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| Canonical SMILES |
Fc1ccc(Nc2ncnc3ccc(NC(=O)C#CCCN4CCOCC4)cc23)cc1Cl
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| InChI |
InChI=1S/C23H21ClFN5O2/c24-19-14-17(4-6-20(19)25)29-23-18-13-16(5-7-21(18)26-15-27-23)28-22(31)3-1-2-8-30-9-11-32-12-10-30/h4-7,13-15H,2,8-12H2,(H,28,31)(H,26,27,29)
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| InChIKey |
OETCDAITXCDXIB-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