General Information of the Compound
| Compound ID |
CP0446651
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| Compound Name |
N-[4-(3-chloro-4-fluoroanilino)pyrido[3,4-d]pyrimidin-6-yl]-4-[di(propan-2-yl)amino]but-2-ynamide
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| Structure |
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| Formula |
C23H24ClFN6O
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| Molecular Weight |
454.937
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| Canonical SMILES |
CC(C)N(CC#CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1)C(C)C
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| InChI |
InChI=1S/C23H24ClFN6O/c1-14(2)31(15(3)4)9-5-6-22(32)30-21-11-17-20(12-26-21)27-13-28-23(17)29-16-7-8-19(25)18(24)10-16/h7-8,10-15H,9H2,1-4H3,(H,26,30,32)(H,27,28,29)
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| InChIKey |
QAWQPXUVEVTPDR-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