General Information of the Compound
| Compound ID |
CP0510837
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| Compound Name |
2,6-dimethyl-N-[4-(trifluoromethyl)phenyl]furo[2,3-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C15H12F3N3O
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| Molecular Weight |
307.275
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| Canonical SMILES |
Cc1cc2c(Nc3ccc(cc3)C(F)(F)F)nc(C)nc2o1
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| InChI |
InChI=1S/C15H12F3N3O/c1-8-7-12-13(19-9(2)20-14(12)22-8)21-11-5-3-10(4-6-11)15(16,17)18/h3-7H,1-2H3,(H,19,20,21)
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| InChIKey |
FSSSCYOUDUBIGP-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 | |
| CL000052 | A-431 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 55.5 nM
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