General Information of the Compound
| Compound ID |
CP0504741
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| Compound Name |
N-(4-ethoxyphenyl)-N,2,6-trimethylfuro[2,3-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C17H19N3O2
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| Molecular Weight |
297.358
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| Canonical SMILES |
CCOc1ccc(cc1)N(C)c1nc(C)nc2oc(C)cc12
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| InChI |
InChI=1S/C17H19N3O2/c1-5-21-14-8-6-13(7-9-14)20(4)16-15-10-11(2)22-17(15)19-12(3)18-16/h6-10H,5H2,1-4H3
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| InChIKey |
VTLMUUYKCYKXDZ-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
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000112 | MDA-MB-435 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 13.4 nM
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TI
LI
LO
TS
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