General Information of the Compound
| Compound ID |
CP0496818
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| Compound Name |
N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-5-(diethylamino)pent-2-ynamide
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| Structure |
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| Formula |
C23H23ClFN5O
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| Molecular Weight |
439.922
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| Canonical SMILES |
CCN(CC)CCC#CC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1
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| InChI |
InChI=1S/C23H23ClFN5O/c1-3-30(4-2)12-6-5-7-22(31)28-16-9-11-21-18(13-16)23(27-15-26-21)29-17-8-10-20(25)19(24)14-17/h8-11,13-15H,3-4,6,12H2,1-2H3,(H,28,31)(H,26,27,29)
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| InChIKey |
PKKRQPPSMXAKFM-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