General Information of the Compound
| Compound ID |
CP0453151
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| Compound Name |
N-[4-(3-chloro-4-fluoroanilino)pyrido[3,4-d]pyrimidin-6-yl]-5-piperidin-1-ylpent-2-ynamide
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| Structure |
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| Formula |
C23H22ClFN6O
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| Molecular Weight |
452.921
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| Canonical SMILES |
Fc1ccc(Nc2ncnc3cnc(NC(=O)C#CCCN4CCCCC4)cc23)cc1Cl
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| InChI |
InChI=1S/C23H22ClFN6O/c24-18-12-16(7-8-19(18)25)29-23-17-13-21(26-14-20(17)27-15-28-23)30-22(32)6-2-5-11-31-9-3-1-4-10-31/h7-8,12-15H,1,3-5,9-11H2,(H,26,30,32)(H,27,28,29)
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| InChIKey |
FKXXCQSSSCJHOZ-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