General Information of the Compound
| Compound ID |
CP0160645
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| Compound Name |
US9422297, AAG145-126
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| Structure |
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| Formula |
C20H20N4
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| Molecular Weight |
316.408
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| Canonical SMILES |
CC(C)c1ccc(Nc2nc(N)nc3Cc4ccccc4-c23)cc1
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| InChI |
InChI=1S/C20H20N4/c1-12(2)13-7-9-15(10-8-13)22-19-18-16-6-4-3-5-14(16)11-17(18)23-20(21)24-19/h3-10,12H,11H2,1-2H3,(H3,21,22,23,24)
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| InChIKey |
PUPIDEKMUKQDBG-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: PT00844, Platelet-derived growth factor receptor beta
Protein ID: PT00864, Vascular endothelial growth factor receptor 2