General Information of the Compound
| Compound ID |
CP0439388
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| Compound Name |
N-[4-(3-chloro-4-fluoroanilino)pyrido[3,4-d]pyrimidin-6-yl]hex-2-ynamide
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| Structure |
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| Formula |
C19H15ClFN5O
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| Molecular Weight |
383.814
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| Canonical SMILES |
CCCC#CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1
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| InChI |
InChI=1S/C19H15ClFN5O/c1-2-3-4-5-18(27)26-17-9-13-16(10-22-17)23-11-24-19(13)25-12-6-7-15(21)14(20)8-12/h6-11H,2-3H2,1H3,(H,22,26,27)(H,23,24,25)
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| InChIKey |
ISEHGRGNSOYPTL-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